CID 6449075

174198-16-4

Structural Information

Molecular Formula
C20H34N2O3S
SMILES
C/1CC(C2CCC(S2=O)C(CC/C=C1)N3CCOCC3)N4CCOCC4
InChI
InChI=1S/C20H34N2O3S/c23-26-19-7-8-20(26)18(22-11-15-25-16-12-22)6-4-2-1-3-5-17(19)21-9-13-24-14-10-21/h1-2,17-20H,3-16H2/b2-1-
InChIKey
OREAGBASRSWWGD-UPHRSURJSA-N
Compound name
(5Z)-2,9-dimorpholin-4-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

382.229 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.236276 185.3
[M+Na]+ 405.218218 185.9
[M-H]- 381.221724 187.8
[M+NH4]+ 400.262823 192.1
[M+K]+ 421.192158 185.5
[M+H-H2O]+ 365.226260 180.4
[M+HCOO]- 427.227201 186.4
[M+CH3COO]- 441.242851 190.7
[M+Na-2H]- 403.203666 180.3
[M]+ 382.22845142 175.1
[M]- 382.22954858 175.1
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.