CID 18590

Ethylenediamine, n-benzyl-n',n'-bis(2-chloroethyl)-n-methyl-, dihydrochloride

Structural Information

Molecular Formula
C14H22Cl2N2
SMILES
CN(CCN(CCCl)CCCl)CC1=CC=CC=C1
InChI
InChI=1S/C14H22Cl2N2/c1-17(13-14-5-3-2-4-6-14)11-12-18(9-7-15)10-8-16/h2-6H,7-13H2,1H3
InChIKey
PDIVAZZLXGIWTA-UHFFFAOYSA-N
Compound name
N-benzyl-N',N'-bis(2-chloroethyl)-N-methylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.116 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.123276 169.4
[M+Na]+ 311.105218 174.5
[M-H]- 287.108724 173.7
[M+NH4]+ 306.149823 186.9
[M+K]+ 327.079158 170.2
[M+H-H2O]+ 271.113260 162.9
[M+HCOO]- 333.114201 185.6
[M+CH3COO]- 347.129851 211.1
[M+Na-2H]- 309.090666 172.4
[M]+ 288.11545142 175.3
[M]- 288.11654858 175.3
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

No patent data available for this compound.