CID 116303

4-(3,4,5-tripropoxybenzoyl)morpholine

Structural Information

Molecular Formula
C20H31NO5
SMILES
CCCOC1=CC(=CC(=C1OCCC)OCCC)C(=O)N2CCOCC2
InChI
InChI=1S/C20H31NO5/c1-4-9-24-17-14-16(20(22)21-7-12-23-13-8-21)15-18(25-10-5-2)19(17)26-11-6-3/h14-15H,4-13H2,1-3H3
InChIKey
PFTCUSBZESAGRS-UHFFFAOYSA-N
Compound name
morpholin-4-yl-(3,4,5-tripropoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.2202 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.22748 190.4
[M+Na]+ 388.20942 193.8
[M-H]- 364.21292 194.8
[M+NH4]+ 383.25402 200.0
[M+K]+ 404.18336 192.8
[M+H-H2O]+ 348.21746 180.7
[M+HCOO]- 410.21840 206.4
[M+CH3COO]- 424.23405 216.9
[M+Na-2H]- 386.19487 190.0
[M]+ 365.21965 195.4
[M]- 365.22075 195.4
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.