CID 123663

70539-42-3

Structural Information

Molecular Formula
C18H20N2O12
SMILES
C1CC(=O)N(C1=O)OC(=O)CCC(=O)OCCOC(=O)CCC(=O)ON2C(=O)CCC2=O
InChI
InChI=1S/C18H20N2O12/c21-11-1-2-12(22)19(11)31-17(27)7-5-15(25)29-9-10-30-16(26)6-8-18(28)32-20-13(23)3-4-14(20)24/h1-10H2
InChIKey
QLHLYJHNOCILIT-UHFFFAOYSA-N
Compound name
4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]oxyethyl] butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

46
References

5453
Patents

456.10162 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.10890 195.8
[M+Na]+ 479.09084 197.0
[M+NH4]+ 474.13544 213.1
[M+K]+ 495.06478 203.0
[M-H]- 455.09434 188.8
[M+Na-2H]- 477.07629 190.8
[M]+ 456.10107 192.5
[M]- 456.10217 192.5
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