CID 135434391

2-[3-[(2-fluoro-3-methyl-phenyl)methoxy]-5-hydroxy-phenyl]-5,6-dihydroxy-pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C19H15FN2O6
SMILES
CC1=C(C(=CC=C1)COC2=CC(=CC(=C2)O)C3=NC(=C(C(=O)N3)O)C(=O)O)F
InChI
InChI=1S/C19H15FN2O6/c1-9-3-2-4-10(14(9)20)8-28-13-6-11(5-12(23)7-13)17-21-15(19(26)27)16(24)18(25)22-17/h2-7,23-24H,8H2,1H3,(H,26,27)(H,21,22,25)
InChIKey
GKDQZPULFLUJSM-UHFFFAOYSA-N
Compound name
2-[3-[(2-fluoro-3-methylphenyl)methoxy]-5-hydroxyphenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.0914 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.09868 187.6
[M+Na]+ 409.08062 196.9
[M-H]- 385.08412 189.8
[M+NH4]+ 404.12522 193.7
[M+K]+ 425.05456 191.0
[M+H-H2O]+ 369.08866 176.9
[M+HCOO]- 431.08960 201.9
[M+CH3COO]- 445.10525 213.3
[M+Na-2H]- 407.06607 187.1
[M]+ 386.09085 187.7
[M]- 386.09195 187.7
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.