CID 3041164

53552-20-8

Structural Information

Molecular Formula
C7H7N3OS
SMILES
CC1=C(C2=NSN=C2C(=C1)N)O
InChI
InChI=1S/C7H7N3OS/c1-3-2-4(8)5-6(7(3)11)10-12-9-5/h2,11H,8H2,1H3
InChIKey
MGFRQYBTMKMPNI-UHFFFAOYSA-N
Compound name
7-amino-5-methyl-2,1,3-benzothiadiazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

181.03099 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.03827 134.0
[M+Na]+ 204.02021 146.8
[M+NH4]+ 199.06481 142.7
[M+K]+ 219.99415 141.2
[M-H]- 180.02371 135.7
[M+Na-2H]- 202.00566 139.4
[M]+ 181.03044 136.7
[M]- 181.03154 136.7
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