CID 124851

Sulfo-mbs

Structural Information

Molecular Formula
C15H10N2O9S
SMILES
C1C(C(=O)N(C1=O)OC(=O)C2=CC(=CC=C2)N3C(=O)C=CC3=O)S(=O)(=O)O
InChI
InChI=1S/C15H10N2O9S/c18-11-4-5-12(19)16(11)9-3-1-2-8(6-9)15(22)26-17-13(20)7-10(14(17)21)27(23,24)25/h1-6,10H,7H2,(H,23,24,25)
InChIKey
DIYPCWKHSODVAP-UHFFFAOYSA-N
Compound name
1-[3-(2,5-dioxopyrrol-1-yl)benzoyl]oxy-2,5-dioxopyrrolidine-3-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

14145
Patents

394.0107 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.01798 185.8
[M+Na]+ 416.99992 193.1
[M+NH4]+ 412.04452 187.3
[M+K]+ 432.97386 194.5
[M-H]- 393.00342 183.7
[M+Na-2H]- 414.98537 186.8
[M]+ 394.01015 185.9
[M]- 394.01125 185.9
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