CID 36125

Benzylamine, n-(2-chloroethyl)-n-phenoxyethyl-, hydrochloride

Structural Information

Molecular Formula
C17H20ClNO
SMILES
C1=CC=C(C=C1)CN(CCOC2=CC=CC=C2)CCCl
InChI
InChI=1S/C17H20ClNO/c18-11-12-19(15-16-7-3-1-4-8-16)13-14-20-17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKey
VPQDAMSKYJKQPT-UHFFFAOYSA-N
Compound name
N-benzyl-N-(2-chloroethyl)-2-phenoxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

289.12335 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.130626 168.0
[M+Na]+ 312.112568 173.4
[M-H]- 288.116074 174.8
[M+NH4]+ 307.157173 184.2
[M+K]+ 328.086508 168.6
[M+H-H2O]+ 272.120610 159.9
[M+HCOO]- 334.121551 188.5
[M+CH3COO]- 348.137201 205.0
[M+Na-2H]- 310.098016 173.4
[M]+ 289.12280142 172.3
[M]- 289.12389858 172.3
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

patents stripe