CID 135434246

2-[2-[(3-cyanobenzoyl)amino]phenyl]-5,6-dihydroxy-pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C19H12N4O5
SMILES
C1=CC=C(C(=C1)C2=NC(=C(C(=O)N2)O)C(=O)O)NC(=O)C3=CC=CC(=C3)C#N
InChI
InChI=1S/C19H12N4O5/c20-9-10-4-3-5-11(8-10)17(25)21-13-7-2-1-6-12(13)16-22-14(19(27)28)15(24)18(26)23-16/h1-8,24H,(H,21,25)(H,27,28)(H,22,23,26)
InChIKey
YJRSUIPQEXMSOL-UHFFFAOYSA-N
Compound name
2-[2-[(3-cyanobenzoyl)amino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.08078 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.08806 193.4
[M+Na]+ 399.07000 202.0
[M-H]- 375.07350 195.1
[M+NH4]+ 394.11460 198.1
[M+K]+ 415.04394 195.5
[M+H-H2O]+ 359.07804 176.6
[M+HCOO]- 421.07898 206.5
[M+CH3COO]- 435.09463 222.8
[M+Na-2H]- 397.05545 193.3
[M]+ 376.08023 185.9
[M]- 376.08133 185.9
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.