CID 135541345

(2z)-3-{6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl}-2-hydroxyprop-2-enoic acid

Structural Information

Molecular Formula
C14H11FN2O4
SMILES
C1=CC(=CC=C1COC2=NC=NC(=C2)/C=C(/C(=O)O)\O)F
InChI
InChI=1S/C14H11FN2O4/c15-10-3-1-9(2-4-10)7-21-13-6-11(16-8-17-13)5-12(18)14(19)20/h1-6,8,18H,7H2,(H,19,20)/b12-5-
InChIKey
PWMMNHNCSBCYTJ-XGICHPGQSA-N
Compound name
(Z)-3-[6-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-2-hydroxyprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.07028 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.07756 162.6
[M+Na]+ 313.05950 169.9
[M-H]- 289.06300 162.8
[M+NH4]+ 308.10410 173.4
[M+K]+ 329.03344 165.5
[M+H-H2O]+ 273.06754 152.9
[M+HCOO]- 335.06848 179.4
[M+CH3COO]- 349.08413 195.2
[M+Na-2H]- 311.04495 165.5
[M]+ 290.06973 161.6
[M]- 290.07083 161.6
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

No patent data available for this compound.