CID 3053920

1,2,3,4-tetrahydro-8-chloro-4-phenyl-(1)benzothieno(3,2-c)pyridine methanesulfonate

Structural Information

Molecular Formula
C17H14ClNS
SMILES
C1C(C2=C(CN1)C3=C(S2)C=CC(=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C17H14ClNS/c18-12-6-7-16-13(8-12)15-10-19-9-14(17(15)20-16)11-4-2-1-3-5-11/h1-8,14,19H,9-10H2
InChIKey
KONYKNYNMJSLIJ-UHFFFAOYSA-N
Compound name
8-chloro-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

299.05356 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.06084 163.8
[M+Na]+ 322.04278 181.0
[M+NH4]+ 317.08738 175.7
[M+K]+ 338.01672 170.1
[M-H]- 298.04628 170.2
[M+Na-2H]- 320.02823 172.5
[M]+ 299.05301 169.2
[M]- 299.05411 169.2
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.