CID 135511140

Schembl13754877

Structural Information

Molecular Formula
C15H14N2O3
SMILES
C1=CC=C(C=C1)CCC2=CN=C(C=N2)/C=C(/C(=O)O)\O
InChI
InChI=1S/C15H14N2O3/c18-14(15(19)20)8-13-10-16-12(9-17-13)7-6-11-4-2-1-3-5-11/h1-5,8-10,18H,6-7H2,(H,19,20)/b14-8-
InChIKey
HNODZOQJXWKUFM-ZSOIEALJSA-N
Compound name
(Z)-2-hydroxy-3-[5-(2-phenylethyl)pyrazin-2-yl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

270.10043 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10771 161.8
[M+Na]+ 293.08965 167.8
[M-H]- 269.09315 162.8
[M+NH4]+ 288.13425 173.3
[M+K]+ 309.06359 163.0
[M+H-H2O]+ 253.09769 152.9
[M+HCOO]- 315.09863 179.1
[M+CH3COO]- 329.11428 192.1
[M+Na-2H]- 291.07510 165.5
[M]+ 270.09988 160.4
[M]- 270.10098 160.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe