CID 54705344

Schembl14510729

Structural Information

Molecular Formula
C16H13N3O4
SMILES
C1=CC=C(C=C1)NC(=O)CN2C=CN3C=CC(=O)C(=C3C2=O)O
InChI
InChI=1S/C16H13N3O4/c20-12-6-7-18-8-9-19(16(23)14(18)15(12)22)10-13(21)17-11-4-2-1-3-5-11/h1-9,22H,10H2,(H,17,21)
InChIKey
RPBMJTYTUCGZNX-UHFFFAOYSA-N
Compound name
2-(9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-2-yl)-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

311.0906 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.09788 168.4
[M+Na]+ 334.07982 177.8
[M-H]- 310.08332 172.8
[M+NH4]+ 329.12442 180.2
[M+K]+ 350.05376 172.8
[M+H-H2O]+ 294.08786 158.8
[M+HCOO]- 356.08880 188.8
[M+CH3COO]- 370.10445 205.2
[M+Na-2H]- 332.06527 174.8
[M]+ 311.09005 169.7
[M]- 311.09115 169.7
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