CID 135434192

2-[2-({[(2-fluorophenyl)methyl]amino}carbonylamino)phenyl]-5,6-dihydroxypyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C19H15FN4O5
SMILES
C1=CC=C(C(=C1)CNC(=O)NC2=CC=CC=C2C3=NC(=C(C(=O)N3)O)C(=O)O)F
InChI
InChI=1S/C19H15FN4O5/c20-12-7-3-1-5-10(12)9-21-19(29)22-13-8-4-2-6-11(13)16-23-14(18(27)28)15(25)17(26)24-16/h1-8,25H,9H2,(H,27,28)(H2,21,22,29)(H,23,24,26)
InChIKey
AYJPFCNILTWEIW-UHFFFAOYSA-N
Compound name
2-[2-[(2-fluorophenyl)methylcarbamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.10266 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.10994 189.7
[M+Na]+ 421.09188 196.3
[M-H]- 397.09538 192.6
[M+NH4]+ 416.13648 194.8
[M+K]+ 437.06582 190.4
[M+H-H2O]+ 381.09992 178.3
[M+HCOO]- 443.10086 206.8
[M+CH3COO]- 457.11651 220.3
[M+Na-2H]- 419.07733 191.4
[M]+ 398.10211 186.6
[M]- 398.10321 186.6
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.