CID 116303

64039-01-6

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]+ 366.227476 190.4
[M+Na]+ 388.209418 193.8
[M-H]- 364.212924 194.8
[M+NH4]+ 383.254023 200.0
[M+K]+ 404.183358 192.8
[M+H-H2O]+ 348.217460 180.7
[M+HCOO]- 410.218401 206.4
[M+CH3COO]- 424.234051 216.9
[M+Na-2H]- 386.194866 190.0
[M]+ 365.21965142 195.4
[M]- 365.22074858 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

literature stripe

Patent stripe

No patent data available for this compound.