CID 383603

Nsc672021

Structural Information

Molecular Formula
C10H13N3O2S2
SMILES
CC1CN=C(S1)NC2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C10H13N3O2S2/c1-7-6-12-10(16-7)13-8-2-4-9(5-3-8)17(11,14)15/h2-5,7H,6H2,1H3,(H,12,13)(H2,11,14,15)
InChIKey
HVOJLSZZFBEAOA-UHFFFAOYSA-N
Compound name
4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.04492 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.05220 157.8
[M+Na]+ 294.03414 166.5
[M-H]- 270.03764 163.0
[M+NH4]+ 289.07874 174.7
[M+K]+ 310.00808 161.0
[M+H-H2O]+ 254.04218 151.3
[M+HCOO]- 316.04312 171.4
[M+CH3COO]- 330.05877 195.1
[M+Na-2H]- 292.01959 159.4
[M]+ 271.04437 157.8
[M]- 271.04547 157.8
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.