CID 135541344

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

Structural Information

Molecular Formula
C15H13FN2O3
SMILES
C1=CC(=CC=C1CCC2=CC(=NC=N2)/C=C(/C(=O)O)\O)F
InChI
InChI=1S/C15H13FN2O3/c16-11-4-1-10(2-5-11)3-6-12-7-13(18-9-17-12)8-14(19)15(20)21/h1-2,4-5,7-9,19H,3,6H2,(H,20,21)/b14-8-
InChIKey
FUPBYSYRLLKQQB-ZSOIEALJSA-N
Compound name
(Z)-3-[6-[2-(4-fluorophenyl)ethyl]pyrimidin-4-yl]-2-hydroxyprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.09103 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.09831 164.4
[M+Na]+ 311.08025 171.5
[M-H]- 287.08375 164.4
[M+NH4]+ 306.12485 175.5
[M+K]+ 327.05419 166.2
[M+H-H2O]+ 271.08829 154.8
[M+HCOO]- 333.08923 180.7
[M+CH3COO]- 347.10488 196.0
[M+Na-2H]- 309.06570 166.8
[M]+ 288.09048 162.4
[M]- 288.09158 162.4
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

No patent data available for this compound.