CID 214283

Cv-981

Structural Information

Molecular Formula
C20H23NOS
SMILES
C1CN(CC=C1C2=CC=CC=C2)CCCS(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H23NOS/c22-23(20-10-5-2-6-11-20)17-7-14-21-15-12-19(13-16-21)18-8-3-1-4-9-18/h1-6,8-12H,7,13-17H2
InChIKey
BLYYQIUMAFVZOY-UHFFFAOYSA-N
Compound name
1-[3-(benzenesulfinyl)propyl]-4-phenyl-3,6-dihydro-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.15002 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.15730 175.5
[M+Na]+ 348.13924 190.3
[M+NH4]+ 343.18384 184.9
[M+K]+ 364.11318 178.8
[M-H]- 324.14274 182.4
[M+Na-2H]- 346.12469 186.0
[M]+ 325.14947 180.3
[M]- 325.15057 180.3
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.