CID 9570878

Brn 3005468

Structural Information

Molecular Formula
C13H20Cl2N4O2S
SMILES
CN(C)C1=CC=C(C=C1)/C=N/NS(=O)(=O)N(CCCl)CCCl
InChI
InChI=1S/C13H20Cl2N4O2S/c1-18(2)13-5-3-12(4-6-13)11-16-17-22(20,21)19(9-7-14)10-8-15/h3-6,11,17H,7-10H2,1-2H3/b16-11+
InChIKey
ZKABBSXCHBRSHC-LFIBNONCSA-N
Compound name
1-[(E)-[bis(2-chloroethyl)sulfamoylhydrazinylidene]methyl]-4-(dimethylamino)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.0684 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.07568 184.3
[M+Na]+ 389.05762 192.9
[M+NH4]+ 384.10222 190.7
[M+K]+ 405.03156 184.7
[M-H]- 365.06112 186.9
[M+Na-2H]- 387.04307 189.3
[M]+ 366.06785 187.0
[M]- 366.06895 187.0
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.