CID 6449075

2,9-dimorpholino-13-thiabicyclo(8.2.1)tridec-5-ene 13-oxide

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]+ 383.23628 185.3
[M+Na]+ 405.21822 185.9
[M-H]- 381.22172 187.8
[M+NH4]+ 400.26282 192.1
[M+K]+ 421.19216 185.5
[M+H-H2O]+ 365.22626 180.4
[M+HCOO]- 427.22720 186.4
[M+CH3COO]- 441.24285 190.7
[M+Na-2H]- 403.20367 180.3
[M]+ 382.22845 175.1
[M]- 382.22955 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.