CID 48136

N-(2-chloroethyl)diphenethylamine hydrochloride

Structural Information

Molecular Formula
C18H22ClN
SMILES
C1=CC=C(C=C1)CCN(CCC2=CC=CC=C2)CCCl
InChI
InChI=1S/C18H22ClN/c19-13-16-20(14-11-17-7-3-1-4-8-17)15-12-18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKey
CMGYXIHYTZGDIZ-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-2-phenyl-N-(2-phenylethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

287.14407 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.15135 169.5
[M+Na]+ 310.13329 174.5
[M-H]- 286.13679 176.0
[M+NH4]+ 305.17789 185.8
[M+K]+ 326.10723 168.8
[M+H-H2O]+ 270.14133 161.4
[M+HCOO]- 332.14227 189.4
[M+CH3COO]- 346.15792 206.1
[M+Na-2H]- 308.11874 174.3
[M]+ 287.14352 172.7
[M]- 287.14462 172.7
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

patents stripe