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
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 178.6
[M+Na]+ 369.08459 188.1
[M-H]- 345.08809 185.6
[M+NH4]+ 364.12919 193.4
[M+K]+ 385.05853 182.5
[M+H-H2O]+ 329.09263 170.6
[M+HCOO]- 391.09357 198.0
[M+CH3COO]- 405.10922 189.6
[M+Na-2H]- 367.07004 180.9
[M]+ 346.09482 179.9
[M]- 346.09592 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.