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 176.4
[M+Na]+ 348.13924 181.0
[M-H]- 324.14274 183.4
[M+NH4]+ 343.18384 188.8
[M+K]+ 364.11318 174.8
[M+H-H2O]+ 308.14728 166.7
[M+HCOO]- 370.14822 190.4
[M+CH3COO]- 384.16387 185.7
[M+Na-2H]- 346.12469 177.2
[M]+ 325.14947 175.2
[M]- 325.15057 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.