CID 10923604

136465-99-1

Structural Information

Molecular Formula
C14H10N2O4
SMILES
C1CC(=O)N(C1=O)OC(=O)C2=NC3=CC=CC=C3C=C2
InChI
InChI=1S/C14H10N2O4/c17-12-7-8-13(18)16(12)20-14(19)11-6-5-9-3-1-2-4-10(9)15-11/h1-6H,7-8H2
InChIKey
IMTUBZOIPOXUTD-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) quinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

270.06406 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07134 157.4
[M+Na]+ 293.05328 166.2
[M-H]- 269.05678 162.7
[M+NH4]+ 288.09788 173.5
[M+K]+ 309.02722 162.9
[M+H-H2O]+ 253.06132 149.0
[M+HCOO]- 315.06226 177.2
[M+CH3COO]- 329.07791 195.2
[M+Na-2H]- 291.03873 160.7
[M]+ 270.06351 158.3
[M]- 270.06461 158.3
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