CID 3079258

Brn 4211959

Structural Information

Molecular Formula
C13H13ClN4O4S2
SMILES
C1=CC(=CC=C1S(=O)(=O)NNC(=O)CCC(=O)NC2=NC=CS2)Cl
InChI
InChI=1S/C13H13ClN4O4S2/c14-9-1-3-10(4-2-9)24(21,22)18-17-12(20)6-5-11(19)16-13-15-7-8-23-13/h1-4,7-8,18H,5-6H2,(H,17,20)(H,15,16,19)
InChIKey
HBVWUULAFWVODN-UHFFFAOYSA-N
Compound name
4-[2-(4-chlorophenyl)sulfonylhydrazinyl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.00668 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.01396 184.1
[M+Na]+ 410.99590 190.1
[M-H]- 386.99940 189.3
[M+NH4]+ 406.04050 196.0
[M+K]+ 426.96984 183.9
[M+H-H2O]+ 371.00394 177.2
[M+HCOO]- 433.00488 193.8
[M+CH3COO]- 447.02053 215.3
[M+Na-2H]- 408.98135 186.5
[M]+ 388.00613 188.2
[M]- 388.00723 188.2
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.