CID 3039081

4-biphenylylglyoxal salicylamido-hemiacetal

Structural Information

Molecular Formula
C21H17NO4
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C(NC(=O)C3=CC=CC=C3O)O
InChI
InChI=1S/C21H17NO4/c23-18-9-5-4-8-17(18)20(25)22-21(26)19(24)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13,21,23,26H,(H,22,25)
InChIKey
UDRWNTMPNLKXNO-UHFFFAOYSA-N
Compound name
2-hydroxy-N-[1-hydroxy-2-oxo-2-(4-phenylphenyl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.11575 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.123026 180.6
[M+Na]+ 370.104968 184.6
[M-H]- 346.108474 187.4
[M+NH4]+ 365.149573 190.7
[M+K]+ 386.078908 180.1
[M+H-H2O]+ 330.113010 171.4
[M+HCOO]- 392.113951 199.9
[M+CH3COO]- 406.129601 210.5
[M+Na-2H]- 368.090416 182.1
[M]+ 347.11520142 178.1
[M]- 347.11629858 178.1
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.