CID 135463449

(z)-3-(6-benzyloxypyrimidin-4-yl)-2-hydroxy-prop-2-enoic acid

Structural Information

Molecular Formula
C14H12N2O4
SMILES
C1=CC=C(C=C1)COC2=NC=NC(=C2)/C=C(/C(=O)O)\O
InChI
InChI=1S/C14H12N2O4/c17-12(14(18)19)6-11-7-13(16-9-15-11)20-8-10-4-2-1-3-5-10/h1-7,9,17H,8H2,(H,18,19)/b12-6-
InChIKey
ZHLLNALBFMADPL-SDQBBNPISA-N
Compound name
(Z)-2-hydroxy-3-(6-phenylmethoxypyrimidin-4-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.0797 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.086976 160.0
[M+Na]+ 295.068918 166.3
[M-H]- 271.072424 161.2
[M+NH4]+ 290.113523 171.3
[M+K]+ 311.042858 162.4
[M+H-H2O]+ 255.076960 151.0
[M+HCOO]- 317.077901 177.8
[M+CH3COO]- 331.093551 191.3
[M+Na-2H]- 293.054366 164.2
[M]+ 272.07915142 159.6
[M]- 272.08024858 159.6
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.