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 167.2
[M+Na]+ 310.09692 172.6
[M-H]- 286.10042 174.2
[M+NH4]+ 305.14152 183.4
[M+K]+ 326.07086 167.7
[M+H-H2O]+ 270.10496 159.4
[M+HCOO]- 332.10590 186.9
[M+CH3COO]- 346.12155 205.0
[M+Na-2H]- 308.08237 171.5
[M]+ 287.10715 170.3
[M]- 287.10825 170.3
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.