CID 135434321

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

Structural Information

Molecular Formula
C19H15FN2O5
SMILES
CC1=C(C(=CC=C1)COC2=CC=CC(=C2)C3=NC(=C(C(=O)N3)O)C(=O)O)F
InChI
InChI=1S/C19H15FN2O5/c1-10-4-2-6-12(14(10)20)9-27-13-7-3-5-11(8-13)17-21-15(19(25)26)16(23)18(24)22-17/h2-8,23H,9H2,1H3,(H,25,26)(H,21,22,24)
InChIKey
LJVUCBPBDZDPBT-UHFFFAOYSA-N
Compound name
2-[3-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.0965 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.10378 184.4
[M+Na]+ 393.08572 193.7
[M-H]- 369.08922 187.5
[M+NH4]+ 388.13032 191.7
[M+K]+ 409.05966 187.5
[M+H-H2O]+ 353.09376 173.5
[M+HCOO]- 415.09470 200.1
[M+CH3COO]- 429.11035 211.6
[M+Na-2H]- 391.07117 185.0
[M]+ 370.09595 184.4
[M]- 370.09705 184.4
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.