CID 24846259

Brn 2312004

Structural Information

Molecular Formula
C14H30Cl4N4O4S2
SMILES
C(CCCNS(=O)(=O)N(CCCl)CCCl)CCNS(=O)(=O)N(CCCl)CCCl
InChI
InChI=1S/C14H30Cl4N4O4S2/c15-5-11-21(12-6-16)27(23,24)19-9-3-1-2-4-10-20-28(25,26)22(13-7-17)14-8-18/h19-20H,1-14H2
InChIKey
CXGUYWYMYSYHIU-UHFFFAOYSA-N
Compound name
1,6-bis[bis(2-chloroethyl)sulfamoylamino]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.04626 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.05354 210.6
[M+Na]+ 545.03548 211.0
[M-H]- 521.03898 209.9
[M+NH4]+ 540.08008 218.3
[M+K]+ 561.00942 205.3
[M+H-H2O]+ 505.04352 206.7
[M+HCOO]- 567.04446 204.7
[M+CH3COO]- 581.06011 244.7
[M+Na-2H]- 543.02093 209.4
[M]+ 522.04571 218.5
[M]- 522.04681 218.5
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.