CID 117983

2-benzothiazolesulfinamide, n,n-dimethyl-

Structural Information

Molecular Formula
C9H10N2OS2
SMILES
CN(C)S(=O)C1=NC2=CC=CC=C2S1
InChI
InChI=1S/C9H10N2OS2/c1-11(2)14(12)9-10-7-5-3-4-6-8(7)13-9/h3-6H,1-2H3
InChIKey
FAMTXHDRBMBNAJ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1,3-benzothiazole-2-sulfinamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

226.02345 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.03073 144.0
[M+Na]+ 249.01267 154.8
[M-H]- 225.01617 149.5
[M+NH4]+ 244.05727 165.3
[M+K]+ 264.98661 151.6
[M+H-H2O]+ 209.02071 138.3
[M+HCOO]- 271.02165 159.4
[M+CH3COO]- 285.03730 157.8
[M+Na-2H]- 246.99812 146.8
[M]+ 226.02290 150.0
[M]- 226.02400 150.0
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