CID 3042603

2,1,3-benzothiadiazol-2(s(sup iv))-4-amine, n,n-dimethyl-

Structural Information

Molecular Formula
C8H9N3S
SMILES
CN(C)C1=CC=CC2=NSN=C21
InChI
InChI=1S/C8H9N3S/c1-11(2)7-5-3-4-6-8(7)10-12-9-6/h3-5H,1-2H3
InChIKey
DQEJCDUHWHWHKJ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2,1,3-benzothiadiazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.05171 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.058986 133.4
[M+Na]+ 202.040928 144.8
[M-H]- 178.044434 138.0
[M+NH4]+ 197.085533 155.3
[M+K]+ 218.014868 142.6
[M+H-H2O]+ 162.048970 126.7
[M+HCOO]- 224.049911 154.4
[M+CH3COO]- 238.065561 148.3
[M+Na-2H]- 200.026376 139.6
[M]+ 179.05116142 138.5
[M]- 179.05225858 138.5
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.