CID 18590

N-benzyl-n',n'-bis(2-chloroethyl)-n-methylethylenediamine 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

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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]+ 289.12328 167.5
[M+Na]+ 311.10522 179.6
[M+NH4]+ 306.14982 176.6
[M+K]+ 327.07916 170.5
[M-H]- 287.10872 171.5
[M+Na-2H]- 309.09067 174.6
[M]+ 288.11545 171.0
[M]- 288.11655 171.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.