CID 48340

Benzylamine, n-benzoylmethyl-n-(2-chloroethyl)-, hydrochloride

Structural Information

Molecular Formula

C₁₇H₁₈ClNO

SMILES

C1=CC=C(C=C1)CN(CCCl)CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H18ClNO/c18-11-12-19(13-15-7-3-1-4-8-15)14-17(20)16-9-5-2-6-10-16/h1-10H,11-14H2

InChIKey

CWBBNYSHIUVKSY-UHFFFAOYSA-N

Compound name

2-[benzyl(2-chloroethyl)amino]-1-phenylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 287.1077 Da
Monoisotopic Mass: 3.8
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]+	288.114976	167.2
[M+Na]+	310.096918	172.6
[M-H]-	286.100424	174.2
[M+NH4]+	305.141523	183.4
[M+K]+	326.070858	167.7
[M+H-H2O]+	270.104960	159.4
[M+HCOO]-	332.105901	186.9
[M+CH3COO]-	346.121551	205.0
[M+Na-2H]-	308.082366	171.5
[M]+	287.10715142	170.3
[M]-	287.10824858	170.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.