CID 212722

Brn 1225722

Structural Information

Molecular Formula
C15H21NO6
SMILES
COC1=CC(=CC(=C1OC)OC)OCC(=O)N2CCOCC2
InChI
InChI=1S/C15H21NO6/c1-18-12-8-11(9-13(19-2)15(12)20-3)22-10-14(17)16-4-6-21-7-5-16/h8-9H,4-7,10H2,1-3H3
InChIKey
SQAOLDXRUNCZCI-UHFFFAOYSA-N
Compound name
1-morpholin-4-yl-2-(3,4,5-trimethoxyphenoxy)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.1369 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.14418 169.8
[M+Na]+ 334.12612 175.2
[M-H]- 310.12962 175.3
[M+NH4]+ 329.17072 181.6
[M+K]+ 350.10006 176.1
[M+H-H2O]+ 294.13416 160.9
[M+HCOO]- 356.13510 187.7
[M+CH3COO]- 370.15075 204.3
[M+Na-2H]- 332.11157 172.3
[M]+ 311.13635 174.6
[M]- 311.13745 174.6
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.