CID 215354

Cv-961

Structural Information

Molecular Formula
C20H23NO2S
SMILES
C1CN(CC=C1C2=CC=CC=C2)CCCS(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H23NO2S/c22-24(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
WYIDENZZKUPBEZ-UHFFFAOYSA-N
Compound name
1-[3-(benzenesulfonyl)propyl]-4-phenyl-3,6-dihydro-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.14496 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.15224 180.9
[M+Na]+ 364.13418 186.2
[M-H]- 340.13768 188.1
[M+NH4]+ 359.17878 192.6
[M+K]+ 380.10812 180.0
[M+H-H2O]+ 324.14222 171.3
[M+HCOO]- 386.14316 194.7
[M+CH3COO]- 400.15881 207.0
[M+Na-2H]- 362.11963 183.5
[M]+ 341.14441 180.4
[M]- 341.14551 180.4
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.