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]+ 326.159806 174.9
[M+Na]+ 348.141748 179.1
[M-H]- 324.145254 178.8
[M+NH4]+ 343.186353 185.2
[M+K]+ 364.115688 179.5
[M+H-H2O]+ 308.149790 166.2
[M+HCOO]- 370.150731 189.9
[M+CH3COO]- 384.166381 205.9
[M+Na-2H]- 346.127196 175.1
[M]+ 325.15198142 177.5
[M]- 325.15307858 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.