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]+ 283.12886 162.3
[M+Na]+ 305.11080 168.7
[M-H]- 281.11430 168.5
[M+NH4]+ 300.15540 177.0
[M+K]+ 321.08474 169.2
[M+H-H2O]+ 265.11884 154.4
[M+HCOO]- 327.11978 183.9
[M+CH3COO]- 341.13543 200.0
[M+Na-2H]- 303.09625 164.7
[M]+ 282.12103 166.2
[M]- 282.12213 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.