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 170.6
[M+Na]+ 353.07439 181.7
[M-H]- 329.07789 177.1
[M+NH4]+ 348.11899 186.9
[M+K]+ 369.04833 178.7
[M+H-H2O]+ 313.08243 163.9
[M+HCOO]- 375.08337 191.8
[M+CH3COO]- 389.09902 209.8
[M+Na-2H]- 351.05984 169.3
[M]+ 330.08462 177.5
[M]- 330.08572 177.5
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.