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 183.5
[M+Na]+ 389.05762 189.1
[M-H]- 365.06112 190.2
[M+NH4]+ 384.10222 198.4
[M+K]+ 405.03156 185.0
[M+H-H2O]+ 349.06566 176.8
[M+HCOO]- 411.06660 197.4
[M+CH3COO]- 425.08225 226.2
[M+Na-2H]- 387.04307 186.1
[M]+ 366.06785 191.7
[M]- 366.06895 191.7
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.