CID 139014601

N,n,6-trimethyl-2-oxo-2,3-dihydro-1,3-benzothiazole-3-sulfonamide

Structural Information

Molecular Formula
C10H12N2O3S2
SMILES
CC1=CC2=C(C=C1)N(C(=O)S2)S(=O)(=O)N(C)C
InChI
InChI=1S/C10H12N2O3S2/c1-7-4-5-8-9(6-7)16-10(13)12(8)17(14,15)11(2)3/h4-6H,1-3H3
InChIKey
FLKAUPMNALNEAE-UHFFFAOYSA-N
Compound name
N,N,6-trimethyl-2-oxo-1,3-benzothiazole-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.02893 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.03621 157.0
[M+Na]+ 295.01815 169.2
[M-H]- 271.02165 162.9
[M+NH4]+ 290.06275 176.6
[M+K]+ 310.99209 165.5
[M+H-H2O]+ 255.02619 151.7
[M+HCOO]- 317.02713 172.1
[M+CH3COO]- 331.04278 198.3
[M+Na-2H]- 293.00360 160.3
[M]+ 272.02838 165.4
[M]- 272.02948 165.4
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.