PubChemLite - Carbamic acid, [8-[[3-(diethylamino)propyl]methylamino]-3-[4-(trifluoromethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-, ethyl ester (C25H31F3N6O2)

Structural Information

Molecular Formula

SMILES

CCN(CC)CCCN(C)C1=CC(=NC2=NC(=CN=C12)C3=CC=C(C=C3)C(F)(F)F)NC(=O)OCC

InChI

InChI=1S/C25H31F3N6O2/c1-5-34(6-2)14-8-13-33(4)20-15-21(32-24(35)36-7-3)31-23-22(20)29-16-19(30-23)17-9-11-18(12-10-17)25(26,27)28/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,30,31,32,35)

InChIKey

VETRBYPHCCFDCO-UHFFFAOYSA-N

Compound name

ethyl N-[8-[3-(diethylamino)propyl-methylamino]-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]+	505.25334	225.2
[M+Na]+	527.23528	229.8
[M-H]-	503.23878	226.9
[M+NH4]+	522.27988	229.1
[M+K]+	543.20922	225.3
[M+H-H2O]+	487.24332	210.0
[M+HCOO]-	549.24426	240.0
[M+CH3COO]-	563.25991	256.7
[M+Na-2H]-	525.22073	226.6
[M]+	504.24551	227.6
[M]-	504.24661	227.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

505.25334

225.2

[M+Na]+

527.23528

229.8

[M-H]-

503.23878

226.9

[M+NH4]+

522.27988

229.1

[M+K]+

543.20922

225.3

[M+H-H2O]+

487.24332

210.0

[M+HCOO]-

549.24426

240.0

[M+CH3COO]-

563.25991

256.7

[M+Na-2H]-

525.22073

226.6

[M]+

504.24551

227.6

[M]-

504.24661

227.6

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

Carbamic acid, [8-[[3-(diethylamino)propyl]methylamino]-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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