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 184.4
[M+Na]+ 378.12869 194.2
[M-H]- 354.13219 194.8
[M+NH4]+ 373.17329 200.4
[M+K]+ 394.10263 185.9
[M+H-H2O]+ 338.13673 175.5
[M+HCOO]- 400.13767 199.7
[M+CH3COO]- 414.15332 195.3
[M+Na-2H]- 376.11414 186.0
[M]+ 355.13892 185.7
[M]- 355.14002 185.7
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.