CID 3039043

4-biphenylylglyoxal nicotinamido-hemiacetal

Structural Information

Molecular Formula
C20H16N2O3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C(NC(=O)C3=CN=CC=C3)O
InChI
InChI=1S/C20H16N2O3/c23-18(20(25)22-19(24)17-7-4-12-21-13-17)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-13,20,25H,(H,22,24)
InChIKey
AFJZURVGKQHFTP-UHFFFAOYSA-N
Compound name
N-[1-hydroxy-2-oxo-2-(4-phenylphenyl)ethyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1161 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.12338 177.0
[M+Na]+ 355.10532 181.1
[M-H]- 331.10882 183.6
[M+NH4]+ 350.14992 186.9
[M+K]+ 371.07926 176.5
[M+H-H2O]+ 315.11336 166.8
[M+HCOO]- 377.11430 196.7
[M+CH3COO]- 391.12995 209.0
[M+Na-2H]- 353.09077 180.4
[M]+ 332.11555 174.7
[M]- 332.11665 174.7
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.