CID 165731892

2-(1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl) 4-methyl 5-ethylfuran-2,4-dicarboxylate

Structural Information

Molecular Formula
C17H13NO7
SMILES
CCC1=C(C=C(O1)C(=O)ON2C(=O)C3=CC=CC=C3C2=O)C(=O)OC
InChI
InChI=1S/C17H13NO7/c1-3-12-11(16(21)23-2)8-13(24-12)17(22)25-18-14(19)9-6-4-5-7-10(9)15(18)20/h4-8H,3H2,1-2H3
InChIKey
FTCYIXCVVUNVJS-UHFFFAOYSA-N
Compound name
2-O-(1,3-dioxoisoindol-2-yl) 4-O-methyl 5-ethylfuran-2,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.0692 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.07648 173.1
[M+Na]+ 366.05842 182.5
[M-H]- 342.06192 181.5
[M+NH4]+ 361.10302 188.4
[M+K]+ 382.03236 181.9
[M+H-H2O]+ 326.06646 167.2
[M+HCOO]- 388.06740 194.1
[M+CH3COO]- 402.08305 210.0
[M+Na-2H]- 364.04387 172.3
[M]+ 343.06865 181.1
[M]- 343.06975 181.1
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.