CID 154577595

2418660-91-8

Structural Information

Molecular Formula
C11H16N4O2S2
SMILES
CN(C)S(=O)(=O)CCNCC1=CC=CC2=NSN=C21
InChI
InChI=1S/C11H16N4O2S2/c1-15(2)19(16,17)7-6-12-8-9-4-3-5-10-11(9)14-18-13-10/h3-5,12H,6-8H2,1-2H3
InChIKey
WMQIUILLADGWEP-UHFFFAOYSA-N
Compound name
2-(2,1,3-benzothiadiazol-4-ylmethylamino)-N,N-dimethylethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.07147 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07875 164.7
[M+Na]+ 323.06069 174.1
[M-H]- 299.06419 168.2
[M+NH4]+ 318.10529 181.1
[M+K]+ 339.03463 169.9
[M+H-H2O]+ 283.06873 157.7
[M+HCOO]- 345.06967 179.0
[M+CH3COO]- 359.08532 205.1
[M+Na-2H]- 321.04614 169.5
[M]+ 300.07092 171.5
[M]- 300.07202 171.5
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.