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

2
Patents

237.10011 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.107386 149.6
[M+Na]+ 260.089328 158.6
[M-H]- 236.092834 156.3
[M+NH4]+ 255.133933 166.8
[M+K]+ 276.063268 158.6
[M+H-H2O]+ 220.097370 142.5
[M+HCOO]- 282.098311 172.7
[M+CH3COO]- 296.113961 190.5
[M+Na-2H]- 258.074776 154.1
[M]+ 237.09956142 155.4
[M]- 237.10065858 155.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe