CID 211932

23771-27-9

Structural Information

Molecular Formula
C16H23NO6
SMILES
COC1=CC(=CC(=C1OC)OC)C(CC(=O)N2CCOCC2)O
InChI
InChI=1S/C16H23NO6/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/h8-9,12,18H,4-7,10H2,1-3H3
InChIKey
XMAADYFYLWKGHE-UHFFFAOYSA-N
Compound name
3-hydroxy-1-morpholin-4-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.15253 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.15981 174.9
[M+Na]+ 348.14175 179.1
[M-H]- 324.14525 178.8
[M+NH4]+ 343.18635 185.2
[M+K]+ 364.11569 179.5
[M+H-H2O]+ 308.14979 166.2
[M+HCOO]- 370.15073 189.9
[M+CH3COO]- 384.16638 205.9
[M+Na-2H]- 346.12720 175.1
[M]+ 325.15198 177.5
[M]- 325.15308 177.5
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.