CID 6449069

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

Structural Information

Molecular Formula
C20H34N2O2S
SMILES
C/1CC(C2CCC(S2)C(CC/C=C1)N3CCOCC3)N4CCOCC4
InChI
InChI=1S/C20H34N2O2S/c1-2-4-6-18(22-11-15-24-16-12-22)20-8-7-19(25-20)17(5-3-1)21-9-13-23-14-10-21/h1-2,17-20H,3-16H2/b2-1-
InChIKey
YODWNZVFZSHNDZ-UPHRSURJSA-N
Compound name
4-[(5Z)-9-morpholin-4-yl-13-thiabicyclo[8.2.1]tridec-5-en-2-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.2341 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.24138 181.4
[M+Na]+ 389.22332 181.1
[M-H]- 365.22682 183.5
[M+NH4]+ 384.26792 188.7
[M+K]+ 405.19726 180.8
[M+H-H2O]+ 349.23136 176.2
[M+HCOO]- 411.23230 182.3
[M+CH3COO]- 425.24795 186.7
[M+Na-2H]- 387.20877 176.8
[M]+ 366.23355 170.1
[M]- 366.23465 170.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.