CID 54683457

Schembl14129755

Structural Information

Molecular Formula
C17H15N3O4
SMILES
CN(C1=CC=CC=C1)C(=O)CN2C=CN3C=CC(=O)C(=C3C2=O)O
InChI
InChI=1S/C17H15N3O4/c1-18(12-5-3-2-4-6-12)14(22)11-20-10-9-19-8-7-13(21)16(23)15(19)17(20)24/h2-10,23H,11H2,1H3
InChIKey
RLNWPCMHDNKQTM-UHFFFAOYSA-N
Compound name
2-(9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-2-yl)-N-methyl-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

325.10626 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.11354 172.4
[M+Na]+ 348.09548 181.5
[M-H]- 324.09898 178.1
[M+NH4]+ 343.14008 184.2
[M+K]+ 364.06942 177.6
[M+H-H2O]+ 308.10352 162.5
[M+HCOO]- 370.10446 193.0
[M+CH3COO]- 384.12011 211.3
[M+Na-2H]- 346.08093 177.6
[M]+ 325.10571 175.3
[M]- 325.10681 175.3
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.