CID 389124

Nsc684809

Structural Information

Molecular Formula
C10H12IN3O2S2
SMILES
C1C(SC(=N1)NC2=CC=C(C=C2)S(=O)(=O)N)CI
InChI
InChI=1S/C10H12IN3O2S2/c11-5-8-6-13-10(17-8)14-7-1-3-9(4-2-7)18(12,15)16/h1-4,8H,5-6H2,(H,13,14)(H2,12,15,16)
InChIKey
WYATYSZFAKQDTL-UHFFFAOYSA-N
Compound name
4-[[5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.94156 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.94884 176.7
[M+Na]+ 419.93078 177.9
[M-H]- 395.93428 174.5
[M+NH4]+ 414.97538 187.8
[M+K]+ 435.90472 178.0
[M+H-H2O]+ 379.93882 166.2
[M+HCOO]- 441.93976 185.2
[M+CH3COO]- 455.95541 205.3
[M+Na-2H]- 417.91623 165.9
[M]+ 396.94101 173.9
[M]- 396.94211 173.9
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.