CID 6449069

Morpholine, 4,4'-(13-thiabicyclo(8.2.1)tridec-5-ene-2,9-diyl)bis-

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]+ 367.241376 181.4
[M+Na]+ 389.223318 181.1
[M-H]- 365.226824 183.5
[M+NH4]+ 384.267923 188.7
[M+K]+ 405.197258 180.8
[M+H-H2O]+ 349.231360 176.2
[M+HCOO]- 411.232301 182.3
[M+CH3COO]- 425.247951 186.7
[M+Na-2H]- 387.208766 176.8
[M]+ 366.23355142 170.1
[M]- 366.23464858 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.