CID 3000677

Nsc640973

Structural Information

Molecular Formula
C11H17N7O5S2
SMILES
C1CCC(C(C1)C(=O)NNC(=O)C(=O)NC2=NC(=S)NN2)S(=O)(=O)N
InChI
InChI=1S/C11H17N7O5S2/c12-25(22,23)6-4-2-1-3-5(6)7(19)15-16-9(21)8(20)13-10-14-11(24)18-17-10/h5-6H,1-4H2,(H,15,19)(H,16,21)(H2,12,22,23)(H3,13,14,17,18,20,24)
InChIKey
WNQODMSFHXBOPW-UHFFFAOYSA-N
Compound name
2-oxo-2-[2-(2-sulfamoylcyclohexanecarbonyl)hydrazinyl]-N-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.07327 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.08055 181.0
[M+Na]+ 414.06249 183.2
[M-H]- 390.06599 179.6
[M+NH4]+ 409.10709 187.0
[M+K]+ 430.03643 177.7
[M+H-H2O]+ 374.07053 173.6
[M+HCOO]- 436.07147 186.1
[M+CH3COO]- 450.08712 215.4
[M+Na-2H]- 412.04794 181.3
[M]+ 391.07272 173.8
[M]- 391.07382 173.8
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.