CID 3053586

Bis(2-(bis(2-chloroethyl)amino)ethyl)sulfide hydrochloride

Structural Information

Molecular Formula
C12H24Cl4N2S
SMILES
C(CSCCN(CCCl)CCCl)N(CCCl)CCCl
InChI
InChI=1S/C12H24Cl4N2S/c13-1-5-17(6-2-14)9-11-19-12-10-18(7-3-15)8-4-16/h1-12H2
InChIKey
WCQBNZQWZCAKII-UHFFFAOYSA-N
Compound name
2-[2-[bis(2-chloroethyl)amino]ethylsulfanyl]-N,N-bis(2-chloroethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

368.04144 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.04872 188.2
[M+Na]+ 391.03066 197.0
[M+NH4]+ 386.07526 195.5
[M+K]+ 407.00460 186.2
[M-H]- 367.03416 188.5
[M+Na-2H]- 389.01611 189.8
[M]+ 368.04089 190.8
[M]- 368.04199 190.8
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.