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]+ 326.157296 176.4
[M+Na]+ 348.139238 181.0
[M-H]- 324.142744 183.4
[M+NH4]+ 343.183843 188.8
[M+K]+ 364.113178 174.8
[M+H-H2O]+ 308.147280 166.7
[M+HCOO]- 370.148221 190.4
[M+CH3COO]- 384.163871 185.7
[M+Na-2H]- 346.124686 177.2
[M]+ 325.14947142 175.2
[M]- 325.15056858 175.2
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.