CID 3079254

Brn 4213260

Structural Information

Molecular Formula
C12H12ClN5O4S2
SMILES
C1=CC(=CC=C1S(=O)(=O)NNC(=O)CCC(=O)NC2=NN=CS2)Cl
InChI
InChI=1S/C12H12ClN5O4S2/c13-8-1-3-9(4-2-8)24(21,22)18-16-11(20)6-5-10(19)15-12-17-14-7-23-12/h1-4,7,18H,5-6H2,(H,16,20)(H,15,17,19)
InChIKey
KUGJRLPOEDRRSG-UHFFFAOYSA-N
Compound name
4-[2-(4-chlorophenyl)sulfonylhydrazinyl]-4-oxo-N-(1,3,4-thiadiazol-2-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.00192 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.00920 182.3
[M+Na]+ 411.99114 188.7
[M-H]- 387.99464 186.5
[M+NH4]+ 407.03574 192.9
[M+K]+ 427.96508 182.7
[M+H-H2O]+ 371.99918 175.1
[M+HCOO]- 434.00012 191.2
[M+CH3COO]- 448.01577 215.1
[M+Na-2H]- 409.97659 185.3
[M]+ 389.00137 186.4
[M]- 389.00247 186.4
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.