CID 93861

58626-38-3

Structural Information

Molecular Formula
C15H10N2O6
SMILES
C1CC(=O)N(C1=O)OC(=O)C2=CC(=CC=C2)N3C(=O)C=CC3=O
InChI
InChI=1S/C15H10N2O6/c18-11-4-5-12(19)16(11)10-3-1-2-9(8-10)15(22)23-17-13(20)6-7-14(17)21/h1-5,8H,6-7H2
InChIKey
LLXVXPPXELIDGQ-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

37
References

19312
Patents

314.0539 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.06118 169.3
[M+Na]+ 337.04312 179.3
[M+NH4]+ 332.08772 173.5
[M+K]+ 353.01706 179.6
[M-H]- 313.04662 169.9
[M+Na-2H]- 335.02857 172.9
[M]+ 314.05335 170.3
[M]- 314.05445 170.3
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