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]+ 273.08698 160.0
[M+Na]+ 295.06892 166.3
[M-H]- 271.07242 161.2
[M+NH4]+ 290.11352 171.3
[M+K]+ 311.04286 162.4
[M+H-H2O]+ 255.07696 151.0
[M+HCOO]- 317.07790 177.8
[M+CH3COO]- 331.09355 191.3
[M+Na-2H]- 293.05437 164.2
[M]+ 272.07915 159.6
[M]- 272.08025 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.