CID 69860875

1989671-89-7

Structural Information

Molecular Formula
C7H10N2O2S2
SMILES
C1CNCC2=C1SC(=C2)S(=O)(=O)N
InChI
InChI=1S/C7H10N2O2S2/c8-13(10,11)7-3-5-4-9-2-1-6(5)12-7/h3,9H,1-2,4H2,(H2,8,10,11)
InChIKey
OUHBIFZHOYFPCK-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

218.01837 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.02565 143.0
[M+Na]+ 241.00759 151.6
[M-H]- 217.01109 144.0
[M+NH4]+ 236.05219 162.5
[M+K]+ 256.98153 146.7
[M+H-H2O]+ 201.01563 138.6
[M+HCOO]- 263.01657 152.2
[M+CH3COO]- 277.03222 180.4
[M+Na-2H]- 238.99304 145.6
[M]+ 218.01782 141.0
[M]- 218.01892 141.0
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