CID 374543

Dimethyl 3-(2,4,6-trimethoxyphenyl)isoxazole-4,5-dicarboxylate

Structural Information

Molecular Formula
C16H17NO8
SMILES
COC1=CC(=C(C(=C1)OC)C2=NOC(=C2C(=O)OC)C(=O)OC)OC
InChI
InChI=1S/C16H17NO8/c1-20-8-6-9(21-2)11(10(7-8)22-3)13-12(15(18)23-4)14(25-17-13)16(19)24-5/h6-7H,1-5H3
InChIKey
PNRVNTPAQMAFEY-UHFFFAOYSA-N
Compound name
dimethyl 3-(2,4,6-trimethoxyphenyl)-1,2-oxazole-4,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

351.09543 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.10271 173.8
[M+Na]+ 374.08465 183.0
[M-H]- 350.08815 181.3
[M+NH4]+ 369.12925 186.3
[M+K]+ 390.05859 184.7
[M+H-H2O]+ 334.09269 166.2
[M+HCOO]- 396.09363 196.0
[M+CH3COO]- 410.10928 212.5
[M+Na-2H]- 372.07010 174.3
[M]+ 351.09488 186.2
[M]- 351.09598 186.2
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

No patent data available for this compound.