CID 48138

N-(2-chloroethyl)-3,3'-diphenyldipropylamine hydrochloride

Structural Information

Molecular Formula
C20H26ClN
SMILES
C1=CC=C(C=C1)CCCN(CCCC2=CC=CC=C2)CCCl
InChI
InChI=1S/C20H26ClN/c21-15-18-22(16-7-13-19-9-3-1-4-10-19)17-8-14-20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-18H2
InChIKey
NIQYDPMILAFAET-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-3-phenyl-N-(3-phenylpropyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.17538 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.18266 178.8
[M+Na]+ 338.16460 182.8
[M-H]- 314.16810 184.8
[M+NH4]+ 333.20920 193.9
[M+K]+ 354.13854 176.7
[M+H-H2O]+ 298.17264 170.1
[M+HCOO]- 360.17358 197.9
[M+CH3COO]- 374.18923 212.0
[M+Na-2H]- 336.15005 182.4
[M]+ 315.17483 182.6
[M]- 315.17593 182.6
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.