PubChemLite - Carbamic acid, [8-[[4-(diethylamino)-1-methylbutyl]amino]-3-[4-(trifluoromethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-, ethyl ester (C26H33F3N6O2)

Structural Information

Molecular Formula

SMILES

CCN(CC)CCCC(C)NC1=CC(=NC2=NC(=CN=C12)C3=CC=C(C=C3)C(F)(F)F)NC(=O)OCC

InChI

InChI=1S/C26H33F3N6O2/c1-5-35(6-2)14-8-9-17(4)31-20-15-22(34-25(36)37-7-3)33-24-23(20)30-16-21(32-24)18-10-12-19(13-11-18)26(27,28)29/h10-13,15-17H,5-9,14H2,1-4H3,(H2,31,32,33,34,36)

InChIKey

BUMSPGCFFHAUGN-UHFFFAOYSA-N

Compound name

ethyl N-[8-[5-(diethylamino)pentan-2-ylamino]-3-[4-(trifluoromethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]carbamate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	519.26898	228.6
[M+Na]+	541.25092	232.4
[M-H]-	517.25442	228.8
[M+NH4]+	536.29552	231.3
[M+K]+	557.22486	227.1
[M+H-H2O]+	501.25896	213.7
[M+HCOO]-	563.25990	241.7
[M+CH3COO]-	577.27555	257.4
[M+Na-2H]-	539.23637	229.3
[M]+	518.26115	229.6
[M]-	518.26225	229.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

519.26898

228.6

[M+Na]+

541.25092

232.4

[M-H]-

517.25442

228.8

[M+NH4]+

536.29552

231.3

[M+K]+

557.22486

227.1

[M+H-H2O]+

501.25896

213.7

[M+HCOO]-

563.25990

241.7

[M+CH3COO]-

577.27555

257.4

[M+Na-2H]-

539.23637

229.3

[M]+

518.26115

229.6

[M]-

518.26225

229.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Carbamic acid, [8-[[4-(diethylamino)-1-methylbutyl]amino]-3-[4-(trifluoromethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-, ethyl ester

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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