CID 3053922

4-phenyl-1,2,3,4-tetrahydro-benzo(b)thieno(3,2-c)pyridine methanesulfonate

Structural Information

Molecular Formula
C17H15NS
SMILES
C1C(C2=C(CN1)C3=CC=CC=C3S2)C4=CC=CC=C4
InChI
InChI=1S/C17H15NS/c1-2-6-12(7-3-1)14-10-18-11-15-13-8-4-5-9-16(13)19-17(14)15/h1-9,14,18H,10-11H2
InChIKey
IQWDTVTYFLIVEU-UHFFFAOYSA-N
Compound name
4-phenyl-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.09253 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.09981 156.6
[M+Na]+ 288.08175 166.2
[M-H]- 264.08525 162.8
[M+NH4]+ 283.12635 175.9
[M+K]+ 304.05569 159.0
[M+H-H2O]+ 248.08979 150.0
[M+HCOO]- 310.09073 171.7
[M+CH3COO]- 324.10638 168.7
[M+Na-2H]- 286.06720 161.0
[M]+ 265.09198 156.0
[M]- 265.09308 156.0
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

No patent data available for this compound.