CID 5277416

Schembl13327680

Structural Information

Molecular Formula
C18H17N5O3
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)N=CC(=N2)C3=CC=CC=C3)NC(=O)C
InChI
InChI=1S/C18H17N5O3/c1-3-26-18(25)23-15-9-13-16(17(22-15)20-11(2)24)21-14(10-19-13)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3,(H2,20,22,23,24,25)
InChIKey
GLGRTJBNXIECSF-UHFFFAOYSA-N
Compound name
ethyl N-(5-acetamido-3-phenylpyrido[3,4-b]pyrazin-7-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

351.13315 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.14043 182.3
[M+Na]+ 374.12237 189.2
[M-H]- 350.12587 186.1
[M+NH4]+ 369.16697 191.3
[M+K]+ 390.09631 184.8
[M+H-H2O]+ 334.13041 171.2
[M+HCOO]- 396.13135 202.0
[M+CH3COO]- 410.14700 218.0
[M+Na-2H]- 372.10782 188.6
[M]+ 351.13260 184.1
[M]- 351.13370 184.1
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

patents stripe