CID 13668255

2-methyl-1,3-benzothiazole-6-sulfonamide

Structural Information

Molecular Formula
C8H8N2O2S2
SMILES
CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C8H8N2O2S2/c1-5-10-7-3-2-6(14(9,11)12)4-8(7)13-5/h2-4H,1H3,(H2,9,11,12)
InChIKey
RJJWMABSSXTUCA-UHFFFAOYSA-N
Compound name
2-methyl-1,3-benzothiazole-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

228.00272 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.01000 145.3
[M+Na]+ 250.99194 157.7
[M-H]- 226.99544 149.2
[M+NH4]+ 246.03654 165.7
[M+K]+ 266.96588 152.7
[M+H-H2O]+ 210.99998 140.4
[M+HCOO]- 273.00092 159.8
[M+CH3COO]- 287.01657 186.0
[M+Na-2H]- 248.97739 149.4
[M]+ 228.00217 149.7
[M]- 228.00327 149.7
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