CID 14453135

1h-indene-5-carboxamide, 2-(4-bromo-3-hydroxy-2-quinolinyl)-2,3-dihydro-1,3-dioxo-n,n-dipropyl-

Structural Information

Molecular Formula
C25H23BrN2O4
SMILES
CCCN(CCC)C(=O)C1=CC2=C(C=C1)C(=O)C(C2=O)C3=NC4=CC=CC=C4C(=C3O)Br
InChI
InChI=1S/C25H23BrN2O4/c1-3-11-28(12-4-2)25(32)14-9-10-15-17(13-14)23(30)19(22(15)29)21-24(31)20(26)16-7-5-6-8-18(16)27-21/h5-10,13,19,31H,3-4,11-12H2,1-2H3
InChIKey
ORZLXNFZHASYAM-UHFFFAOYSA-N
Compound name
2-(4-bromo-3-hydroxyquinolin-2-yl)-1,3-dioxo-N,N-dipropylindene-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

494.0841 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.09138 210.4
[M+Na]+ 517.07332 213.5
[M+NH4]+ 512.11792 212.9
[M+K]+ 533.04726 213.9
[M-H]- 493.07682 212.1
[M+Na-2H]- 515.05877 210.4
[M]+ 494.08355 210.0
[M]- 494.08465 210.0
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

patents stripe