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]+ 180.05899 133.4
[M+Na]+ 202.04093 144.8
[M-H]- 178.04443 138.0
[M+NH4]+ 197.08553 155.3
[M+K]+ 218.01487 142.6
[M+H-H2O]+ 162.04897 126.7
[M+HCOO]- 224.04991 154.4
[M+CH3COO]- 238.06556 148.3
[M+Na-2H]- 200.02638 139.6
[M]+ 179.05116 138.5
[M]- 179.05226 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.