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

literature stripe

Patent stripe

patents stripe