CID 6449070

174198-13-1

Structural Information

Molecular Formula
C22H38N2S
SMILES
C1CCN(CC1)C2CC/C=C\CCC(C3CCC2S3)N4CCCCC4
InChI
InChI=1S/C22H38N2S/c1-2-6-12-20(24-17-9-4-10-18-24)22-14-13-21(25-22)19(11-5-1)23-15-7-3-8-16-23/h1-2,19-22H,3-18H2/b2-1-
InChIKey
UJAQOHJCAKZQSY-UPHRSURJSA-N
Compound name
1-[(5Z)-9-piperidin-1-yl-13-thiabicyclo[8.2.1]tridec-5-en-2-yl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.27557 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.28285 186.6
[M+Na]+ 385.26479 194.8
[M+NH4]+ 380.30939 195.7
[M+K]+ 401.23873 185.9
[M-H]- 361.26829 191.8
[M+Na-2H]- 383.25024 189.8
[M]+ 362.27502 189.3
[M]- 362.27612 189.3
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.