CID 9570868

Acetoacetic acid, ethyl ester, 3-((n,n-bis(2-chloroethyl)sulfamoyl)hydrazone)

Structural Information

Molecular Formula
C10H19Cl2N3O4S
SMILES
CCOC(=O)C/C(=N/NS(=O)(=O)N(CCCl)CCCl)/C
InChI
InChI=1S/C10H19Cl2N3O4S/c1-3-19-10(16)8-9(2)13-14-20(17,18)15(6-4-11)7-5-12/h14H,3-8H2,1-2H3/b13-9+
InChIKey
QPZYFKJNYKCIEX-UKTHLTGXSA-N
Compound name
ethyl (3E)-3-[bis(2-chloroethyl)sulfamoylhydrazinylidene]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.04733 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.05461 174.8
[M+Na]+ 370.03655 179.5
[M-H]- 346.04005 177.1
[M+NH4]+ 365.08115 189.9
[M+K]+ 386.01049 176.6
[M+H-H2O]+ 330.04459 169.9
[M+HCOO]- 392.04553 185.5
[M+CH3COO]- 406.06118 216.7
[M+Na-2H]- 368.02200 175.4
[M]+ 347.04678 183.8
[M]- 347.04788 183.8
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.