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

18
Patents

259.0764 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.083676 157.7
[M+Na]+ 282.065618 165.8
[M-H]- 258.069124 164.4
[M+NH4]+ 277.110223 175.1
[M+K]+ 298.039558 160.1
[M+H-H2O]+ 242.073660 151.0
[M+HCOO]- 304.074601 177.6
[M+CH3COO]- 318.090251 197.3
[M+Na-2H]- 280.051066 162.4
[M]+ 259.07585142 159.5
[M]- 259.07694858 159.5
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