CID 710674

N-(4-methoxybenzyl)[1,1'-biphenyl]-4-carboxamide

Structural Information

Molecular Formula
C21H19NO2
SMILES
COC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H19NO2/c1-24-20-13-7-16(8-14-20)15-22-21(23)19-11-9-18(10-12-19)17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,22,23)
InChIKey
WEAABOAXWGOJPX-UHFFFAOYSA-N
Compound name
N-[(4-methoxyphenyl)methyl]-4-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

317.14157 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.148846 175.8
[M+Na]+ 340.130788 181.5
[M-H]- 316.134294 185.2
[M+NH4]+ 335.175393 189.1
[M+K]+ 356.104728 176.5
[M+H-H2O]+ 300.138830 166.1
[M+HCOO]- 362.139771 199.7
[M+CH3COO]- 376.155421 209.6
[M+Na-2H]- 338.116236 180.3
[M]+ 317.14102142 176.0
[M]- 317.14211858 176.0
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

patents stripe