CID 5274867

Chembl368909

Structural Information

Molecular Formula
C20H35NO3S
SMILES
CC1C(=C(C(=O)S1)C)OCCCCCCCCCCN2CCOCC2
InChI
InChI=1S/C20H35NO3S/c1-17-19(18(2)25-20(17)22)24-14-10-8-6-4-3-5-7-9-11-21-12-15-23-16-13-21/h18H,3-16H2,1-2H3
InChIKey
UNHYWWPGLPMAGI-UHFFFAOYSA-N
Compound name
2,4-dimethyl-3-(10-morpholin-4-yldecoxy)-2H-thiophen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.23376 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.24104 192.9
[M+Na]+ 392.22298 195.9
[M-H]- 368.22648 197.0
[M+NH4]+ 387.26758 205.1
[M+K]+ 408.19692 192.8
[M+H-H2O]+ 352.23102 184.9
[M+HCOO]- 414.23196 204.0
[M+CH3COO]- 428.24761 216.2
[M+Na-2H]- 390.20843 187.5
[M]+ 369.23321 197.4
[M]- 369.23431 197.4
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.