CID 16793347

3-{4h,5h,6h,7h-thieno[3,2-c]pyridine-5-sulfonyl}aniline

Structural Information

Molecular Formula
C13H14N2O2S2
SMILES
C1CN(CC2=C1SC=C2)S(=O)(=O)C3=CC=CC(=C3)N
InChI
InChI=1S/C13H14N2O2S2/c14-11-2-1-3-12(8-11)19(16,17)15-6-4-13-10(9-15)5-7-18-13/h1-3,5,7-8H,4,6,9,14H2
InChIKey
QWWGDLBYALBPBT-UHFFFAOYSA-N
Compound name
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.04968 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.05696 163.5
[M+Na]+ 317.03890 172.4
[M-H]- 293.04240 169.1
[M+NH4]+ 312.08350 180.7
[M+K]+ 333.01284 166.6
[M+H-H2O]+ 277.04694 157.8
[M+HCOO]- 339.04788 174.1
[M+CH3COO]- 353.06353 174.6
[M+Na-2H]- 315.02435 165.8
[M]+ 294.04913 163.5
[M]- 294.05023 163.5
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.