CID 5277405

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

Structural Information

Molecular Formula
C17H17N5O2
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)N=C(C(=N2)C3=CC=CC=C3)C)N
InChI
InChI=1S/C17H17N5O2/c1-3-24-17(23)21-13-9-12-15(16(18)20-13)22-14(10(2)19-12)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H3,18,20,21,23)
InChIKey
RWGZINDXXMOTDZ-UHFFFAOYSA-N
Compound name
ethyl N-(5-amino-2-methyl-3-phenylpyrido[3,4-b]pyrazin-7-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1382 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14548 177.7
[M+Na]+ 346.12742 186.2
[M-H]- 322.13092 181.5
[M+NH4]+ 341.17202 188.1
[M+K]+ 362.10136 180.9
[M+H-H2O]+ 306.13546 167.0
[M+HCOO]- 368.13640 197.7
[M+CH3COO]- 382.15205 214.0
[M+Na-2H]- 344.11287 183.6
[M]+ 323.13765 178.6
[M]- 323.13875 178.6
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.