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]+ 354.09722 179.7
[M+Na]+ 376.07916 187.5
[M-H]- 352.08266 189.0
[M+NH4]+ 371.12376 193.5
[M+K]+ 392.05310 186.7
[M+H-H2O]+ 336.08720 172.0
[M+HCOO]- 398.08814 203.1
[M+CH3COO]- 412.10379 214.0
[M+Na-2H]- 374.06461 182.4
[M]+ 353.08939 186.9
[M]- 353.09049 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.