CID 121649

30182-04-8

Structural Information

Molecular Formula
C13H17NO5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)C2NCCO2
InChI
InChI=1S/C13H17NO5/c1-16-9-6-8(7-10(17-2)12(9)18-3)11(15)13-14-4-5-19-13/h6-7,13-14H,4-5H2,1-3H3
InChIKey
IMYNZLLRGYVJTM-UHFFFAOYSA-N
Compound name
1,3-oxazolidin-2-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

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11798 158.2
[M+Na]+ 290.09992 165.0
[M-H]- 266.10342 163.0
[M+NH4]+ 285.14452 173.0
[M+K]+ 306.07386 164.6
[M+H-H2O]+ 250.10796 151.1
[M+HCOO]- 312.10890 177.3
[M+CH3COO]- 326.12455 193.7
[M+Na-2H]- 288.08537 159.6
[M]+ 267.11015 161.2
[M]- 267.11125 161.2
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

patents stripe