CID 3053930

4-phenyl-2-p-tolyl-1,2,3,4-tetrahydro-benzo(b)thieno(3,2-c)pyridine hydrochloride

Structural Information

Molecular Formula
C24H21NS
SMILES
CC1=CC=C(C=C1)N2CC(C3=C(C2)C4=CC=CC=C4S3)C5=CC=CC=C5
InChI
InChI=1S/C24H21NS/c1-17-11-13-19(14-12-17)25-15-21(18-7-3-2-4-8-18)24-22(16-25)20-9-5-6-10-23(20)26-24/h2-14,21H,15-16H2,1H3
InChIKey
QJXWNAFIBCGYGZ-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.13947 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14675 182.6
[M+Na]+ 378.12869 201.3
[M+NH4]+ 373.17329 194.5
[M+K]+ 394.10263 189.2
[M-H]- 354.13219 192.0
[M+Na-2H]- 376.11414 193.8
[M]+ 355.13892 189.0
[M]- 355.14002 189.0
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.