CID 720123

4-chloro-n-[(4-methoxyphenyl)methyl]benzamide

Structural Information

Molecular Formula

C₁₅H₁₄ClNO₂

SMILES

COC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H14ClNO2/c1-19-14-8-2-11(3-9-14)10-17-15(18)12-4-6-13(16)7-5-12/h2-9H,10H2,1H3,(H,17,18)

InChIKey

VAYAGLRWIKCXQM-UHFFFAOYSA-N

Compound name

4-chloro-N-[(4-methoxyphenyl)methyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 275.07132 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	276.07860	160.7
[M+Na]+	298.06054	168.7
[M-H]-	274.06404	167.5
[M+NH4]+	293.10514	177.4
[M+K]+	314.03448	163.7
[M+H-H2O]+	258.06858	153.8
[M+HCOO]-	320.06952	180.9
[M+CH3COO]-	334.08517	199.3
[M+Na-2H]-	296.04599	165.4
[M]+	275.07077	163.9
[M]-	275.07187	163.9

Literature stripe

literature stripe

Patent stripe

patents stripe