CID 3331999

86099-06-1

Structural Information

Molecular Formula
C16H20N2O7
SMILES
C1=CC(=O)N(C1=O)CCOCCOCCOCCN2C(=O)C=CC2=O
InChI
InChI=1S/C16H20N2O7/c19-13-1-2-14(20)17(13)5-7-23-9-11-25-12-10-24-8-6-18-15(21)3-4-16(18)22/h1-4H,5-12H2
InChIKey
OYRSKXCXEFLTEY-UHFFFAOYSA-N
Compound name
1-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1266
Patents

352.12704 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.134316 176.0
[M+Na]+ 375.116258 182.8
[M-H]- 351.119764 179.9
[M+NH4]+ 370.160863 189.5
[M+K]+ 391.090198 181.1
[M+H-H2O]+ 335.124300 167.9
[M+HCOO]- 397.125241 197.7
[M+CH3COO]- 411.140891 210.2
[M+Na-2H]- 373.101706 174.3
[M]+ 352.12649142 184.1
[M]- 352.12758858 184.1
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

patents stripe