CID 293439

101932-46-1

Structural Information

Molecular Formula

C₁₂H₁₅NO₄

SMILES

COC1=CC(=CC(=C1OC)OC)C2=NCCO2

InChI

InChI=1S/C12H15NO4/c1-14-9-6-8(12-13-4-5-17-12)7-10(15-2)11(9)16-3/h6-7H,4-5H2,1-3H3

InChIKey

WPZVHRCLDODCKQ-UHFFFAOYSA-N

Compound name

2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 237.10011 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	238.10739	149.6
[M+Na]+	260.08933	158.6
[M-H]-	236.09283	156.3
[M+NH4]+	255.13393	166.8
[M+K]+	276.06327	158.6
[M+H-H2O]+	220.09737	142.5
[M+HCOO]-	282.09831	172.7
[M+CH3COO]-	296.11396	190.5
[M+Na-2H]-	258.07478	154.1
[M]+	237.09956	155.4
[M]-	237.10066	155.4

Literature stripe

literature stripe

Patent stripe

patents stripe