CID 12252618

102517-17-9

Structural Information

Molecular Formula
C16H34Cl2N4
SMILES
C[N+]1(CCN(CC1)CCCl)CC[N+]2(CCN(CC2)CCCl)C
InChI
InChI=1S/C16H34Cl2N4/c1-21(11-7-19(5-3-17)8-12-21)15-16-22(2)13-9-20(6-4-18)10-14-22/h3-16H2,1-2H3/q+2
InChIKey
GCZSSLMCNBBWNG-UHFFFAOYSA-N
Compound name
4-(2-chloroethyl)-1-[2-[4-(2-chloroethyl)-1-methylpiperazin-1-ium-1-yl]ethyl]-1-methylpiperazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.21606 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.22334 177.6
[M+Na]+ 375.20528 180.3
[M-H]- 351.20878 175.5
[M+NH4]+ 370.24988 189.3
[M+K]+ 391.17922 164.8
[M+H-H2O]+ 335.21332 172.9
[M+HCOO]- 397.21426 176.7
[M+CH3COO]- 411.22991 198.7
[M+Na-2H]- 373.19073 182.6
[M]+ 352.21551 171.1
[M]- 352.21661 171.1
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.