CID 106052

67905-54-8

Structural Information

Molecular Formula
C20H14N2O4
SMILES
CC(=O)NC1=CC2=C(C=C1)C(=O)C(C2=O)C3=NC4=CC=CC=C4C=C3O
InChI
InChI=1S/C20H14N2O4/c1-10(23)21-12-6-7-13-14(9-12)20(26)17(19(13)25)18-16(24)8-11-4-2-3-5-15(11)22-18/h2-9,17,24H,1H3,(H,21,23)
InChIKey
PJFVJUNLDVPCGU-UHFFFAOYSA-N
Compound name
N-[2-(3-hydroxyquinolin-2-yl)-1,3-dioxoinden-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.09537 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.10265 179.9
[M+Na]+ 369.08459 193.6
[M+NH4]+ 364.12919 186.8
[M+K]+ 385.05853 188.8
[M-H]- 345.08809 183.5
[M+Na-2H]- 367.07004 184.9
[M]+ 346.09482 182.7
[M]- 346.09592 182.7
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.