CID 50991

N-benzyl-n-(2-chloroethyl)-n',n'-diethylethylenediamine hydrochloride

Structural Information

Molecular Formula
C15H25ClN2
SMILES
CCN(CC)CCN(CCCl)CC1=CC=CC=C1
InChI
InChI=1S/C15H25ClN2/c1-3-17(4-2)12-13-18(11-10-16)14-15-8-6-5-7-9-15/h5-9H,3-4,10-14H2,1-2H3
InChIKey
NGSSENQLMAZIPC-UHFFFAOYSA-N
Compound name
N'-benzyl-N'-(2-chloroethyl)-N,N-diethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.17062 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.17790 167.7
[M+Na]+ 291.15984 171.8
[M-H]- 267.16334 172.6
[M+NH4]+ 286.20444 185.5
[M+K]+ 307.13378 168.9
[M+H-H2O]+ 251.16788 160.3
[M+HCOO]- 313.16882 188.6
[M+CH3COO]- 327.18447 209.9
[M+Na-2H]- 289.14529 170.9
[M]+ 268.17007 172.8
[M]- 268.17117 172.8
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.