CID 135465483

Chembl382595

Structural Information

Molecular Formula
C15H12N4O4
SMILES
C1=CC=C(C=C1)CN2C=CN=C2C3=NC(=C(C(=O)N3)O)C(=O)O
InChI
InChI=1S/C15H12N4O4/c20-11-10(15(22)23)17-12(18-14(11)21)13-16-6-7-19(13)8-9-4-2-1-3-5-9/h1-7,20H,8H2,(H,22,23)(H,17,18,21)
InChIKey
LYWKQDBCWLOUAK-UHFFFAOYSA-N
Compound name
2-(1-benzylimidazol-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.08585 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.09313 169.5
[M+Na]+ 335.07507 178.8
[M-H]- 311.07857 171.6
[M+NH4]+ 330.11967 178.0
[M+K]+ 351.04901 172.6
[M+H-H2O]+ 295.08311 159.6
[M+HCOO]- 357.08405 185.8
[M+CH3COO]- 371.09970 179.2
[M+Na-2H]- 333.06052 171.4
[M]+ 312.08530 168.8
[M]- 312.08640 168.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.