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 188.6
[M+Na]+ 393.13958 198.4
[M-H]- 369.14308 197.6
[M+NH4]+ 388.18418 202.6
[M+K]+ 409.11352 189.8
[M+H-H2O]+ 353.14762 178.8
[M+HCOO]- 415.14856 202.5
[M+CH3COO]- 429.16421 198.7
[M+Na-2H]- 391.12503 190.1
[M]+ 370.14981 190.3
[M]- 370.15091 190.3
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.