CID 659892

Dimethyl 2-((1-benzofuran-2-ylcarbonyl)amino)terephthalate

Structural Information

Molecular Formula
C19H15NO6
SMILES
COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2=CC3=CC=CC=C3O2
InChI
InChI=1S/C19H15NO6/c1-24-18(22)12-7-8-13(19(23)25-2)14(9-12)20-17(21)16-10-11-5-3-4-6-15(11)26-16/h3-10H,1-2H3,(H,20,21)
InChIKey
SLBFGQFHJFMDLW-UHFFFAOYSA-N
Compound name
dimethyl 2-(1-benzofuran-2-carbonylamino)benzene-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.08994 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.097216 179.7
[M+Na]+ 376.079158 187.5
[M-H]- 352.082664 189.0
[M+NH4]+ 371.123763 193.5
[M+K]+ 392.053098 186.7
[M+H-H2O]+ 336.087200 172.0
[M+HCOO]- 398.088141 203.1
[M+CH3COO]- 412.103791 214.0
[M+Na-2H]- 374.064606 182.4
[M]+ 353.08939142 186.9
[M]- 353.09048858 186.9
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.