CID 118753325

Chembl3527430

Structural Information

Molecular Formula
C15H12N4O5S
SMILES
CC1=CSC(=N1)NC(=O)C2=CC(=CC(=C2)OC3=CNC(=O)NC3=O)O
InChI
InChI=1S/C15H12N4O5S/c1-7-6-25-15(17-7)19-12(21)8-2-9(20)4-10(3-8)24-11-5-16-14(23)18-13(11)22/h2-6,20H,1H3,(H,17,19,21)(H2,16,18,22,23)
InChIKey
AXNPHQPVZJJHQL-UHFFFAOYSA-N
Compound name
3-[(2,4-dioxo-1H-pyrimidin-5-yl)oxy]-5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.05283 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.06011 178.6
[M+Na]+ 383.04205 188.0
[M-H]- 359.04555 182.4
[M+NH4]+ 378.08665 187.1
[M+K]+ 399.01599 181.4
[M+H-H2O]+ 343.05009 170.2
[M+HCOO]- 405.05103 192.8
[M+CH3COO]- 419.06668 206.0
[M+Na-2H]- 381.02750 178.5
[M]+ 360.05228 180.1
[M]- 360.05338 180.1
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.