CID 3690297

115597-84-7

Structural Information

Molecular Formula
C14H16N2O6
SMILES
C1=CC(=O)N(C1=O)CCOCCOCCN2C(=O)C=CC2=O
InChI
InChI=1S/C14H16N2O6/c17-11-1-2-12(18)15(11)5-7-21-9-10-22-8-6-16-13(19)3-4-14(16)20/h1-4H,5-10H2
InChIKey
FERLGYOHRKHQJP-UHFFFAOYSA-N
Compound name
1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2011
Patents

308.10083 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.10811 165.5
[M+Na]+ 331.09005 173.5
[M-H]- 307.09355 169.8
[M+NH4]+ 326.13465 180.9
[M+K]+ 347.06399 171.5
[M+H-H2O]+ 291.09809 157.8
[M+HCOO]- 353.09903 187.7
[M+CH3COO]- 367.11468 202.2
[M+Na-2H]- 329.07550 164.5
[M]+ 308.10028 171.5
[M]- 308.10138 171.5
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.