CID 5066233

211236-68-9

Structural Information

Molecular Formula
C19H26N2O9S
SMILES
C1C(C(=O)N(C1=O)OC(=O)CCCCCCCCCCN2C(=O)C=CC2=O)S(=O)(=O)O
InChI
InChI=1S/C19H26N2O9S/c22-15-10-11-16(23)20(15)12-8-6-4-2-1-3-5-7-9-18(25)30-21-17(24)13-14(19(21)26)31(27,28)29/h10-11,14H,1-9,12-13H2,(H,27,28,29)
InChIKey
VIVFZHFDSHRYIW-UHFFFAOYSA-N
Compound name
1-[11-(2,5-dioxopyrrol-1-yl)undecanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8582
Patents

458.1359 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.14318 207.2
[M+Na]+ 481.12512 210.4
[M+NH4]+ 476.16972 206.8
[M+K]+ 497.09906 211.1
[M-H]- 457.12862 201.8
[M+Na-2H]- 479.11057 203.3
[M]+ 458.13535 205.6
[M]- 458.13645 205.6
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