CID 135481766

Nsc18779

Structural Information

Molecular Formula
C11H13N3O3S2
SMILES
CCC1C(=O)N/C(=N\S(=O)(=O)C2=CC=C(C=C2)N)/S1
InChI
InChI=1S/C11H13N3O3S2/c1-2-9-10(15)13-11(18-9)14-19(16,17)8-5-3-7(12)4-6-8/h3-6,9H,2,12H2,1H3,(H,13,14,15)
InChIKey
HWLHTRJEOVHHTP-UHFFFAOYSA-N
Compound name
(NE)-4-amino-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

299.03983 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.04711 165.9
[M+Na]+ 322.02905 173.9
[M-H]- 298.03255 170.6
[M+NH4]+ 317.07365 181.3
[M+K]+ 338.00299 167.8
[M+H-H2O]+ 282.03709 159.4
[M+HCOO]- 344.03803 178.1
[M+CH3COO]- 358.05368 200.2
[M+Na-2H]- 320.01450 165.8
[M]+ 299.03928 165.2
[M]- 299.04038 165.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.