CID 3053597

1,3-propanediamine, 2-chloro-n,n,n',n'-tetrakis(2-chloroethyl)-, hydrochloride

Structural Information

Molecular Formula
C11H21Cl5N2
SMILES
C(CCl)N(CCCl)CC(CN(CCCl)CCCl)Cl
InChI
InChI=1S/C11H21Cl5N2/c12-1-5-17(6-2-13)9-11(16)10-18(7-3-14)8-4-15/h11H,1-10H2
InChIKey
SHSLBWMJAOGXGK-UHFFFAOYSA-N
Compound name
2-chloro-N,N,N',N'-tetrakis(2-chloroethyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

356.01474 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.02202 182.5
[M+Na]+ 379.00396 191.5
[M+NH4]+ 374.04856 189.0
[M+K]+ 394.97790 183.2
[M-H]- 355.00746 181.9
[M+Na-2H]- 376.98941 184.4
[M]+ 356.01419 184.6
[M]- 356.01529 184.6
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.

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No patent data available for this compound.