CID 3053944

3-methyl-4-phenyl-2-(2-pyridyl)methyl-1,2,3,4-tetrahydro-benzo(b)thieno(3,2-c)pyridine 2hcl

Structural Information

Molecular Formula
C24H22N2S
SMILES
CC1C(C2=C(CN1CC3=CC=CC=N3)C4=CC=CC=C4S2)C5=CC=CC=C5
InChI
InChI=1S/C24H22N2S/c1-17-23(18-9-3-2-4-10-18)24-21(20-12-5-6-13-22(20)27-24)16-26(17)15-19-11-7-8-14-25-19/h2-14,17,23H,15-16H2,1H3
InChIKey
WUZANYVSZJITTQ-UHFFFAOYSA-N
Compound name
3-methyl-4-phenyl-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.15036 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.15764 187.0
[M+Na]+ 393.13958 205.6
[M+NH4]+ 388.18418 198.1
[M+K]+ 409.11352 193.7
[M-H]- 369.14308 195.6
[M+Na-2H]- 391.12503 197.8
[M]+ 370.14981 193.1
[M]- 370.15091 193.1
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.