CID 217584

3-(3,4,5-trimethoxybenzoyl)oxazolidine

Structural Information

Molecular Formula
C13H17NO5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCOC2
InChI
InChI=1S/C13H17NO5/c1-16-10-6-9(7-11(17-2)12(10)18-3)13(15)14-4-5-19-8-14/h6-7H,4-5,8H2,1-3H3
InChIKey
DTPIFOKFGUEOIL-UHFFFAOYSA-N
Compound name
1,3-oxazolidin-3-yl-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.1107 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11798 157.7
[M+Na]+ 290.09992 165.1
[M-H]- 266.10342 164.0
[M+NH4]+ 285.14452 173.4
[M+K]+ 306.07386 165.6
[M+H-H2O]+ 250.10796 150.5
[M+HCOO]- 312.10890 178.4
[M+CH3COO]- 326.12455 195.5
[M+Na-2H]- 288.08537 159.7
[M]+ 267.11015 162.5
[M]- 267.11125 162.5
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.