CID 668836

2-chloro-n-(4-methoxybenzyl)benzamide

Structural Information

Molecular Formula

C₁₅H₁₄ClNO₂

SMILES

COC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2Cl

InChI

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

InChIKey

YSYXKXJZWPWTGA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 12
Patents: 275.07132 Da
Monoisotopic Mass: 3.3
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	161.1
[M+Na]+	298.06054	176.0
[M+NH4]+	293.10514	169.9
[M+K]+	314.03448	167.6
[M-H]-	274.06404	166.2
[M+Na-2H]-	296.04599	170.5
[M]+	275.07077	165.0
[M]-	275.07187	165.0

Literature stripe

literature stripe

Patent stripe

patents stripe