CID 50991

Ethylenediamine, n-benzyl-n-(2-chloroethyl)-n',n'-diethyl-, 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]+ 269.177896 167.7
[M+Na]+ 291.159838 171.8
[M-H]- 267.163344 172.6
[M+NH4]+ 286.204443 185.5
[M+K]+ 307.133778 168.9
[M+H-H2O]+ 251.167880 160.3
[M+HCOO]- 313.168821 188.6
[M+CH3COO]- 327.184471 209.9
[M+Na-2H]- 289.145286 170.9
[M]+ 268.17007142 172.8
[M]- 268.17116858 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.