CID 5277420

Ethyl n-[5-amino-3-(3-aminophenyl)-2-methyl-pyrido[3,4-b]pyrazin-7-yl]carbamate

Structural Information

Molecular Formula

C₁₇H₁₈N₆O₂

SMILES

CCOC(=O)NC1=NC(=C2C(=C1)N=C(C(=N2)C3=CC(=CC=C3)N)C)N

InChI

InChI=1S/C17H18N6O2/c1-3-25-17(24)22-13-8-12-15(16(19)21-13)23-14(9(2)20-12)10-5-4-6-11(18)7-10/h4-8H,3,18H2,1-2H3,(H3,19,21,22,24)

InChIKey

DABNNQCNXDFIDN-UHFFFAOYSA-N

Compound name

ethyl N-[5-amino-3-(3-aminophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 338.1491 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

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]+	339.156376	182.0
[M+Na]+	361.138318	190.7
[M-H]-	337.141824	185.8
[M+NH4]+	356.182923	191.6
[M+K]+	377.112258	185.3
[M+H-H2O]+	321.146360	171.5
[M+HCOO]-	383.147301	202.4
[M+CH3COO]-	397.162951	220.3
[M+Na-2H]-	359.123766	186.8
[M]+	338.14855142	181.9
[M]-	338.14964858	181.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.