CID 6449076

174198-17-5

Structural Information

Molecular Formula
C22H38N2OS
SMILES
C1CCN(CC1)C2CC/C=C\CCC(C3CCC2S3=O)N4CCCCC4
InChI
InChI=1S/C22H38N2OS/c25-26-21-13-14-22(26)20(24-17-9-4-10-18-24)12-6-2-1-5-11-19(21)23-15-7-3-8-16-23/h1-2,19-22H,3-18H2/b2-1-
InChIKey
RVGVRGYSAIKTQM-UPHRSURJSA-N
Compound name
(5Z)-2,9-di(piperidin-1-yl)-13lambda4-thiabicyclo[8.2.1]tridec-5-ene 13-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.27048 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.277756 189.2
[M+Na]+ 401.259698 188.7
[M-H]- 377.263204 189.9
[M+NH4]+ 396.304303 198.8
[M+K]+ 417.233638 184.8
[M+H-H2O]+ 361.267740 183.2
[M+HCOO]- 423.268681 190.7
[M+CH3COO]- 437.284331 193.7
[M+Na-2H]- 399.245146 181.8
[M]+ 378.26993142 175.8
[M]- 378.27102858 175.8
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.