CID 106052

Einecs 267-675-3

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
2
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]+ 347.102646 178.6
[M+Na]+ 369.084588 188.1
[M-H]- 345.088094 185.6
[M+NH4]+ 364.129193 193.4
[M+K]+ 385.058528 182.5
[M+H-H2O]+ 329.092630 170.6
[M+HCOO]- 391.093571 198.0
[M+CH3COO]- 405.109221 189.6
[M+Na-2H]- 367.070036 180.9
[M]+ 346.09482142 179.9
[M]- 346.09591858 179.9
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.