CID 58191

1-dibenzylamino-2,3-dichloropropane hydrochloride

Structural Information

Molecular Formula
C17H19Cl2N
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC(CCl)Cl
InChI
InChI=1S/C17H19Cl2N/c18-11-17(19)14-20(12-15-7-3-1-4-8-15)13-16-9-5-2-6-10-16/h1-10,17H,11-14H2
InChIKey
BMNAFIWAJIHBJH-UHFFFAOYSA-N
Compound name
N,N-dibenzyl-2,3-dichloropropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.08945 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.09673 171.1
[M+Na]+ 330.07867 176.7
[M-H]- 306.08217 177.0
[M+NH4]+ 325.12327 187.0
[M+K]+ 346.05261 170.3
[M+H-H2O]+ 290.08671 163.9
[M+HCOO]- 352.08765 185.2
[M+CH3COO]- 366.10330 208.1
[M+Na-2H]- 328.06412 174.5
[M]+ 307.08890 174.7
[M]- 307.09000 174.7
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.