CID 10449292

160291-60-1

Structural Information

Molecular Formula
C16H14N2O6
SMILES
COC1=C2C(=C(C=C1)OC)C(=O)N(C2=O)CCN3C(=O)C=CC3=O
InChI
InChI=1S/C16H14N2O6/c1-23-9-3-4-10(24-2)14-13(9)15(21)18(16(14)22)8-7-17-11(19)5-6-12(17)20/h3-6H,7-8H2,1-2H3
InChIKey
PLOHPNCILFRALR-UHFFFAOYSA-N
Compound name
2-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4,7-dimethoxyisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.08517 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.09245 174.9
[M+Na]+ 353.07439 185.7
[M+NH4]+ 348.11899 179.5
[M+K]+ 369.04833 185.1
[M-H]- 329.07789 174.7
[M+Na-2H]- 351.05984 176.3
[M]+ 330.08462 175.9
[M]- 330.08572 175.9
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.