CID 135434234

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

Structural Information

Molecular Formula
C18H14N4O5
SMILES
C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2C3=NC(=C(C(=O)N3)O)C(=O)O
InChI
InChI=1S/C18H14N4O5/c23-14-13(17(25)26)21-15(22-16(14)24)11-8-4-5-9-12(11)20-18(27)19-10-6-2-1-3-7-10/h1-9,23H,(H,25,26)(H2,19,20,27)(H,21,22,24)
InChIKey
BVSZNDPDHKNYGQ-UHFFFAOYSA-N
Compound name
5-hydroxy-6-oxo-2-[2-(phenylcarbamoylamino)phenyl]-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.0964 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.10368 181.9
[M+Na]+ 389.08562 188.0
[M-H]- 365.08912 186.0
[M+NH4]+ 384.13022 188.1
[M+K]+ 405.05956 182.7
[M+H-H2O]+ 349.09366 171.5
[M+HCOO]- 411.09460 200.5
[M+CH3COO]- 425.11025 213.4
[M+Na-2H]- 387.07107 185.5
[M]+ 366.09585 179.1
[M]- 366.09695 179.1
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.