CID 135541346

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

Structural Information

Molecular Formula
C13H10N2O4
SMILES
C1=CC=C(C=C1)OC2=NC=NC(=C2)/C=C(/C(=O)O)\O
InChI
InChI=1S/C13H10N2O4/c16-11(13(17)18)6-9-7-12(15-8-14-9)19-10-4-2-1-3-5-10/h1-8,16H,(H,17,18)/b11-6-
InChIKey
PAACIPYIJVMSIK-WDZFZDKYSA-N
Compound name
(Z)-2-hydroxy-3-(6-phenoxypyrimidin-4-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.06406 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07134 155.5
[M+Na]+ 281.05328 162.2
[M-H]- 257.05678 156.9
[M+NH4]+ 276.09788 167.4
[M+K]+ 297.02722 158.5
[M+H-H2O]+ 241.06132 146.7
[M+HCOO]- 303.06226 173.7
[M+CH3COO]- 317.07791 188.4
[M+Na-2H]- 279.03873 160.3
[M]+ 258.06351 154.8
[M]- 258.06461 154.8
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.