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

0
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 183.3
[M+Na]+ 379.00396 186.8
[M-H]- 355.00746 179.9
[M+NH4]+ 374.04856 196.7
[M+K]+ 394.97790 182.3
[M+H-H2O]+ 339.01200 180.0
[M+HCOO]- 401.01294 181.2
[M+CH3COO]- 415.02859 222.4
[M+Na-2H]- 376.98941 179.7
[M]+ 356.01419 186.0
[M]- 356.01529 186.0
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.