CID 51001

N-(2-chloroethyl)-n,n',n'-tribenzylethylenediamine hydrochloride

Structural Information

Molecular Formula
C25H29ClN2
SMILES
C1=CC=C(C=C1)CN(CCN(CC2=CC=CC=C2)CC3=CC=CC=C3)CCCl
InChI
InChI=1S/C25H29ClN2/c26-16-17-27(20-23-10-4-1-5-11-23)18-19-28(21-24-12-6-2-7-13-24)22-25-14-8-3-9-15-25/h1-15H,16-22H2
InChIKey
HMDCOTLMPOHHRT-UHFFFAOYSA-N
Compound name
N,N',N'-tribenzyl-N-(2-chloroethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.20193 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.20921 199.3
[M+Na]+ 415.19115 201.6
[M-H]- 391.19465 209.0
[M+NH4]+ 410.23575 210.7
[M+K]+ 431.16509 195.1
[M+H-H2O]+ 375.19919 188.1
[M+HCOO]- 437.20013 219.3
[M+CH3COO]- 451.21578 230.5
[M+Na-2H]- 413.17660 202.4
[M]+ 392.20138 202.8
[M]- 392.20248 202.8
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.