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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.11498 167.4
[M+Na]+ 310.09692 181.7
[M+NH4]+ 305.14152 176.6
[M+K]+ 326.07086 172.4
[M-H]- 286.10042 173.0
[M+Na-2H]- 308.08237 177.4
[M]+ 287.10715 171.4
[M]- 287.10825 171.4
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

No patent data available for this compound.