CID 135602046

Dihydroxypyrimidine, 7

Structural Information

Molecular Formula
C13H12FN3O3
SMILES
CC1=NC(=C(C(=O)N1)O)C(=O)NCC2=CC=C(C=C2)F
InChI
InChI=1S/C13H12FN3O3/c1-7-16-10(11(18)13(20)17-7)12(19)15-6-8-2-4-9(14)5-3-8/h2-5,18H,6H2,1H3,(H,15,19)(H,16,17,20)
InChIKey
QUOVSBFFBCDNHK-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

9
Patents

277.08627 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.09355 160.4
[M+Na]+ 300.07549 169.6
[M-H]- 276.07899 161.5
[M+NH4]+ 295.12009 172.3
[M+K]+ 316.04943 164.3
[M+H-H2O]+ 260.08353 151.1
[M+HCOO]- 322.08447 179.4
[M+CH3COO]- 336.10012 197.0
[M+Na-2H]- 298.06094 163.9
[M]+ 277.08572 158.4
[M]- 277.08682 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe