CID 39846

50916-11-5

Structural Information

Molecular Formula
C16H23NO5
SMILES
CCOC1=CC(=CC(=C1OCC)OCC)C(=O)C2CCON2
InChI
InChI=1S/C16H23NO5/c1-4-19-13-9-11(15(18)12-7-8-22-17-12)10-14(20-5-2)16(13)21-6-3/h9-10,12,17H,4-8H2,1-3H3
InChIKey
GFQDICWUHVTRPL-UHFFFAOYSA-N
Compound name
1,2-oxazolidin-3-yl-(3,4,5-triethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.15762 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.164896 172.1
[M+Na]+ 332.146838 177.5
[M-H]- 308.150344 176.3
[M+NH4]+ 327.191443 185.2
[M+K]+ 348.120778 176.5
[M+H-H2O]+ 292.154880 164.4
[M+HCOO]- 354.155821 190.1
[M+CH3COO]- 368.171471 202.7
[M+Na-2H]- 330.132286 171.9
[M]+ 309.15707142 176.1
[M]- 309.15816858 176.1
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.