CID 38378

N-(2-chloropropyl)dibenzylamine hydrochloride

Structural Information

Molecular Formula
C17H20ClN
SMILES
CC(CN(CC1=CC=CC=C1)CC2=CC=CC=C2)Cl
InChI
InChI=1S/C17H20ClN/c1-15(18)12-19(13-16-8-4-2-5-9-16)14-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3
InChIKey
JXRAUXZKVVTLPG-UHFFFAOYSA-N
Compound name
N,N-dibenzyl-2-chloropropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

273.12842 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.13570 165.0
[M+Na]+ 296.11764 170.2
[M-H]- 272.12114 171.9
[M+NH4]+ 291.16224 181.9
[M+K]+ 312.09158 165.3
[M+H-H2O]+ 256.12568 157.3
[M+HCOO]- 318.12662 184.3
[M+CH3COO]- 332.14227 203.9
[M+Na-2H]- 294.10309 169.2
[M]+ 273.12787 167.3
[M]- 273.12897 167.3
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