CID 223615

Nsc11375

Structural Information

Molecular Formula
C11H15N3O2S2
SMILES
CC1(CN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N)C
InChI
InChI=1S/C11H15N3O2S2/c1-11(2)7-13-10(17-11)14-18(15,16)9-5-3-8(12)4-6-9/h3-6H,7,12H2,1-2H3,(H,13,14)
InChIKey
WFRRQKDNYPTMLX-UHFFFAOYSA-N
Compound name
4-amino-N-(5,5-dimethyl-4H-1,3-thiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.06058 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.06786 160.5
[M+Na]+ 308.04980 169.4
[M-H]- 284.05330 165.5
[M+NH4]+ 303.09440 178.7
[M+K]+ 324.02374 164.2
[M+H-H2O]+ 268.05784 154.8
[M+HCOO]- 330.05878 173.7
[M+CH3COO]- 344.07443 197.5
[M+Na-2H]- 306.03525 163.6
[M]+ 285.06003 161.4
[M]- 285.06113 161.4
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.