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
4
Annotation Hits

37
References

17454
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 165.1
[M+Na]+ 337.04312 173.9
[M-H]- 313.04662 173.5
[M+NH4]+ 332.08772 180.0
[M+K]+ 353.01706 171.4
[M+H-H2O]+ 297.05116 157.4
[M+HCOO]- 359.05210 186.2
[M+CH3COO]- 373.06775 202.4
[M+Na-2H]- 335.02857 162.8
[M]+ 314.05335 166.7
[M]- 314.05445 166.7
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

No patent data available for this compound.