CID 3051875

2-isoxazolidinecarboxamide, n-(3,4,5-trimethoxyphenyl)-

Structural Information

Molecular Formula
C13H18N2O5
SMILES
COC1=CC(=CC(=C1OC)OC)NC(=O)N2CCCO2
InChI
InChI=1S/C13H18N2O5/c1-17-10-7-9(8-11(18-2)12(10)19-3)14-13(16)15-5-4-6-20-15/h7-8H,4-6H2,1-3H3,(H,14,16)
InChIKey
QKWNLJUOCMMXOF-UHFFFAOYSA-N
Compound name
N-(3,4,5-trimethoxyphenyl)-1,2-oxazolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.12158 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.128856 162.3
[M+Na]+ 305.110798 168.7
[M-H]- 281.114304 168.5
[M+NH4]+ 300.155403 177.0
[M+K]+ 321.084738 169.2
[M+H-H2O]+ 265.118840 154.4
[M+HCOO]- 327.119781 183.9
[M+CH3COO]- 341.135431 200.0
[M+Na-2H]- 303.096246 164.7
[M]+ 282.12103142 166.2
[M]- 282.12212858 166.2
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

No patent data available for this compound.