CID 48138

66842-83-9

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]+ 316.182656 178.8
[M+Na]+ 338.164598 182.8
[M-H]- 314.168104 184.8
[M+NH4]+ 333.209203 193.9
[M+K]+ 354.138538 176.7
[M+H-H2O]+ 298.172640 170.1
[M+HCOO]- 360.173581 197.9
[M+CH3COO]- 374.189231 212.0
[M+Na-2H]- 336.150046 182.4
[M]+ 315.17483142 182.6
[M]- 315.17592858 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.