CID 3039040

4-methoxyphenylglyoxal nicotinamido-hemiacetal

Structural Information

Molecular Formula
C15H14N2O4
SMILES
COC1=CC=C(C=C1)C(=O)C(NC(=O)C2=CN=CC=C2)O
InChI
InChI=1S/C15H14N2O4/c1-21-12-6-4-10(5-7-12)13(18)15(20)17-14(19)11-3-2-8-16-9-11/h2-9,15,20H,1H3,(H,17,19)
InChIKey
LZQNQDGIOMAUIG-UHFFFAOYSA-N
Compound name
N-[1-hydroxy-2-(4-methoxyphenyl)-2-oxoethyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.09537 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.10265 163.6
[M+Na]+ 309.08459 168.6
[M-H]- 285.08809 167.5
[M+NH4]+ 304.12919 176.0
[M+K]+ 325.05853 166.2
[M+H-H2O]+ 269.09263 154.8
[M+HCOO]- 331.09357 184.0
[M+CH3COO]- 345.10922 200.0
[M+Na-2H]- 307.07004 167.0
[M]+ 286.09482 163.6
[M]- 286.09592 163.6
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

No patent data available for this compound.