CID 3078834

1'-methyl-3-(o-tolyl)-spiro(benzo(b)thiophene-2(3h)-4'-piperidine) hydrochloride

Structural Information

Molecular Formula
C20H23NS
SMILES
CC1=CC=CC=C1C2C3=CC=CC=C3SC24CCN(CC4)C
InChI
InChI=1S/C20H23NS/c1-15-7-3-4-8-16(15)19-17-9-5-6-10-18(17)22-20(19)11-13-21(2)14-12-20/h3-10,19H,11-14H2,1-2H3
InChIKey
DLMCNNSJUBHHEO-UHFFFAOYSA-N
Compound name
1'-methyl-3-(2-methylphenyl)spiro[3H-1-benzothiophene-2,4'-piperidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.15512 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.16240 172.4
[M+Na]+ 332.14434 187.0
[M+NH4]+ 327.18894 185.2
[M+K]+ 348.11828 175.0
[M-H]- 308.14784 179.5
[M+Na-2H]- 330.12979 181.8
[M]+ 309.15457 177.5
[M]- 309.15567 177.5
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.