CID 135434295

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

Structural Information

Molecular Formula
C18H13FN4O5
SMILES
C1=CC(=CC(=C1)NC(=O)NC2=CC(=CC=C2)F)C3=NC(=C(C(=O)N3)O)C(=O)O
InChI
InChI=1S/C18H13FN4O5/c19-10-4-2-6-12(8-10)21-18(28)20-11-5-1-3-9(7-11)15-22-13(17(26)27)14(24)16(25)23-15/h1-8,24H,(H,26,27)(H2,20,21,28)(H,22,23,25)
InChIKey
LFVPSEZRYOXCCZ-UHFFFAOYSA-N
Compound name
2-[3-[(3-fluorophenyl)carbamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.087 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.09428 185.5
[M+Na]+ 407.07622 192.5
[M-H]- 383.07972 188.6
[M+NH4]+ 402.12082 191.1
[M+K]+ 423.05016 186.8
[M+H-H2O]+ 367.08426 174.3
[M+HCOO]- 429.08520 202.9
[M+CH3COO]- 443.10085 217.4
[M+Na-2H]- 405.06167 187.6
[M]+ 384.08645 182.1
[M]- 384.08755 182.1
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.