CID 854659

N-(4-chlorobenzyl)-4-methylbenzamide

Structural Information

Molecular Formula
C15H14ClNO
SMILES
CC1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H14ClNO/c1-11-2-6-13(7-3-11)15(18)17-10-12-4-8-14(16)9-5-12/h2-9H,10H2,1H3,(H,17,18)
InChIKey
OWPSPHARKUUPKP-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

259.0764 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.08368 158.2
[M+Na]+ 282.06562 173.6
[M+NH4]+ 277.11022 167.6
[M+K]+ 298.03956 164.6
[M-H]- 258.06912 163.8
[M+Na-2H]- 280.05107 168.1
[M]+ 259.07585 162.4
[M]- 259.07695 162.4
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

patents stripe