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]+ 324.14418 172.9
[M+Na]+ 346.12612 177.9
[M-H]- 322.12962 178.2
[M+NH4]+ 341.17072 183.9
[M+K]+ 362.10006 178.5
[M+H-H2O]+ 306.13416 164.0
[M+HCOO]- 368.13510 189.6
[M+CH3COO]- 382.15075 207.5
[M+Na-2H]- 344.11157 173.7
[M]+ 323.13635 176.7
[M]- 323.13745 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.