CID 70700787

569355-30-2

Structural Information

Molecular Formula
C16H14N2O4
SMILES
CC1=CC2=C(C=C(N=C2C=C1)C)C(=O)ON3C(=O)CCC3=O
InChI
InChI=1S/C16H14N2O4/c1-9-3-4-13-11(7-9)12(8-10(2)17-13)16(21)22-18-14(19)5-6-15(18)20/h3-4,7-8H,5-6H2,1-2H3
InChIKey
HDQNGUNXGKGYSR-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 2,6-dimethylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.09537 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.10265 167.6
[M+Na]+ 321.08459 180.5
[M+NH4]+ 316.12919 173.9
[M+K]+ 337.05853 176.7
[M-H]- 297.08809 169.2
[M+Na-2H]- 319.07004 172.0
[M]+ 298.09482 169.6
[M]- 298.09592 169.6
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

No patent data available for this compound.