CID 135434203

2-[2-(benzylcarbamoylamino)phenyl]-5,6-dihydroxy-pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C19H16N4O5
SMILES
C1=CC=C(C=C1)CNC(=O)NC2=CC=CC=C2C3=NC(=C(C(=O)N3)O)C(=O)O
InChI
InChI=1S/C19H16N4O5/c24-15-14(18(26)27)22-16(23-17(15)25)12-8-4-5-9-13(12)21-19(28)20-10-11-6-2-1-3-7-11/h1-9,24H,10H2,(H,26,27)(H2,20,21,28)(H,22,23,25)
InChIKey
BFHQVSNOTGEABB-UHFFFAOYSA-N
Compound name
2-[2-(benzylcarbamoylamino)phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.11206 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.11934 186.1
[M+Na]+ 403.10128 191.7
[M-H]- 379.10478 190.0
[M+NH4]+ 398.14588 191.7
[M+K]+ 419.07522 186.2
[M+H-H2O]+ 363.10932 175.5
[M+HCOO]- 425.11026 204.3
[M+CH3COO]- 439.12591 216.3
[M+Na-2H]- 401.08673 189.2
[M]+ 380.11151 183.6
[M]- 380.11261 183.6
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.