CID 388353

Nsc683237

Structural Information

Molecular Formula
C11H16ClN5O4S
SMILES
C1=CC(=CC=C1S(=O)(=O)NC(CCC(=O)NN)C(=O)NN)Cl
InChI
InChI=1S/C11H16ClN5O4S/c12-7-1-3-8(4-2-7)22(20,21)17-9(11(19)16-14)5-6-10(18)15-13/h1-4,9,17H,5-6,13-14H2,(H,15,18)(H,16,19)
InChIKey
HDCAQSOZZDTFEQ-UHFFFAOYSA-N
Compound name
4-chloro-N-(1,5-dihydrazinyl-1,5-dioxopentan-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.06116 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.06844 173.5
[M+Na]+ 372.05038 176.9
[M-H]- 348.05388 175.6
[M+NH4]+ 367.09498 185.0
[M+K]+ 388.02432 173.0
[M+H-H2O]+ 332.05842 166.5
[M+HCOO]- 394.05936 188.0
[M+CH3COO]- 408.07501 217.9
[M+Na-2H]- 370.03583 175.0
[M]+ 349.06061 172.9
[M]- 349.06171 172.9
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.