CID 32085

23771-26-8

Structural Information

Molecular Formula
C16H21NO6
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)CC(=O)N2CCOCC2
InChI
InChI=1S/C16H21NO6/c1-20-13-8-11(9-14(21-2)16(13)22-3)12(18)10-15(19)17-4-6-23-7-5-17/h8-9H,4-7,10H2,1-3H3
InChIKey
HKOKZLSLRGZVPG-UHFFFAOYSA-N
Compound name
1-morpholin-4-yl-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1369 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.144176 172.9
[M+Na]+ 346.126118 177.9
[M-H]- 322.129624 178.2
[M+NH4]+ 341.170723 183.9
[M+K]+ 362.100058 178.5
[M+H-H2O]+ 306.134160 164.0
[M+HCOO]- 368.135101 189.6
[M+CH3COO]- 382.150751 207.5
[M+Na-2H]- 344.111566 173.7
[M]+ 323.13635142 176.7
[M]- 323.13744858 176.7
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.