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]+ 318.14885 175.8
[M+Na]+ 340.13079 181.5
[M-H]- 316.13429 185.2
[M+NH4]+ 335.17539 189.1
[M+K]+ 356.10473 176.5
[M+H-H2O]+ 300.13883 166.1
[M+HCOO]- 362.13977 199.7
[M+CH3COO]- 376.15542 209.6
[M+Na-2H]- 338.11624 180.3
[M]+ 317.14102 176.0
[M]- 317.14212 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.