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

1574
Patents

352.12704 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13432 176.0
[M+Na]+ 375.11626 182.8
[M-H]- 351.11976 179.9
[M+NH4]+ 370.16086 189.5
[M+K]+ 391.09020 181.1
[M+H-H2O]+ 335.12430 167.9
[M+HCOO]- 397.12524 197.7
[M+CH3COO]- 411.14089 210.2
[M+Na-2H]- 373.10171 174.3
[M]+ 352.12649 184.1
[M]- 352.12759 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