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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.15638 182.0
[M+Na]+ 361.13832 190.7
[M-H]- 337.14182 185.8
[M+NH4]+ 356.18292 191.6
[M+K]+ 377.11226 185.3
[M+H-H2O]+ 321.14636 171.5
[M+HCOO]- 383.14730 202.4
[M+CH3COO]- 397.16295 220.3
[M+Na-2H]- 359.12377 186.8
[M]+ 338.14855 181.9
[M]- 338.14965 181.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.