PubChemLite - Carbamic acid, [8-[[3-(diethylamino)propyl]methylamino]-3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-, ethyl ester (C25H34N6O3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C25H34N6O3/c1-6-31(7-2)15-9-14-30(4)21-16-22(29-25(32)34-8-3)28-24-23(21)26-17-20(27-24)18-10-12-19(33-5)13-11-18/h10-13,16-17H,6-9,14-15H2,1-5H3,(H,27,28,29,32)

InChIKey

WZEJJIXKAMPWIL-UHFFFAOYSA-N

Compound name

ethyl N-[8-[3-(diethylamino)propyl-methylamino]-3-(4-methoxyphenyl)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]+	467.27651	217.7
[M+Na]+	489.25845	221.3
[M-H]-	465.26195	223.1
[M+NH4]+	484.30305	223.0
[M+K]+	505.23239	218.5
[M+H-H2O]+	449.26649	204.4
[M+HCOO]-	511.26743	237.5
[M+CH3COO]-	525.28308	251.4
[M+Na-2H]-	487.24390	220.0
[M]+	466.26868	225.2
[M]-	466.26978	225.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

467.27651

217.7

[M+Na]+

489.25845

221.3

[M-H]-

465.26195

223.1

[M+NH4]+

484.30305

223.0

[M+K]+

505.23239

218.5

[M+H-H2O]+

449.26649

204.4

[M+HCOO]-

511.26743

237.5

[M+CH3COO]-

525.28308

251.4

[M+Na-2H]-

487.24390

220.0

[M]+

466.26868

225.2

[M]-

466.26978

225.2

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-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-, ethyl ester

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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