CID 49433

Dibenzylamine, n-(2-chloroethyl)-4-methoxy-, hydrochloride

Structural Information

Molecular Formula
C17H20ClNO
SMILES
COC1=CC=C(C=C1)CN(CCCl)CC2=CC=CC=C2
InChI
InChI=1S/C17H20ClNO/c1-20-17-9-7-16(8-10-17)14-19(12-11-18)13-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3
InChIKey
QKBYHPCSTWKCJH-UHFFFAOYSA-N
Compound name
N-benzyl-2-chloro-N-[(4-methoxyphenyl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.12335 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.130626 168.0
[M+Na]+ 312.112568 174.3
[M-H]- 288.116074 175.2
[M+NH4]+ 307.157173 184.5
[M+K]+ 328.086508 169.5
[M+H-H2O]+ 272.120610 160.1
[M+HCOO]- 334.121551 188.5
[M+CH3COO]- 348.137201 206.1
[M+Na-2H]- 310.098016 172.7
[M]+ 289.12280142 172.7
[M]- 289.12389858 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

No patent data available for this compound.