CID 487904

Schembl28946477

Structural Information

Molecular Formula
C10H11N3O2S2
SMILES
CC1=CC(=NS1)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C10H11N3O2S2/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
InChIKey
KJXBGKRAWAXEMR-UHFFFAOYSA-N
Compound name
4-amino-N-(5-methyl-1,2-thiazol-3-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

269.02927 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.03655 156.8
[M+Na]+ 292.01849 166.5
[M-H]- 268.02199 162.4
[M+NH4]+ 287.06309 173.7
[M+K]+ 307.99243 160.7
[M+H-H2O]+ 252.02653 150.2
[M+HCOO]- 314.02747 171.8
[M+CH3COO]- 328.04312 195.4
[M+Na-2H]- 290.00394 159.2
[M]+ 269.02872 158.2
[M]- 269.02982 158.2
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

patents stripe