CID 166411

73287-55-5

Structural Information

Molecular Formula
C23H19BrN2O4
SMILES
CCN(CC)C(=O)C1=CC2=C(C=C1)C(=O)C(C2=O)C3=NC4=CC=CC=C4C(=C3O)Br
InChI
InChI=1S/C23H19BrN2O4/c1-3-26(4-2)23(30)12-9-10-13-15(11-12)21(28)17(20(13)27)19-22(29)18(24)14-7-5-6-8-16(14)25-19/h5-11,17,29H,3-4H2,1-2H3
InChIKey
BUFKXMCKNWZUMN-UHFFFAOYSA-N
Compound name
2-(4-bromo-3-hydroxyquinolin-2-yl)-N,N-diethyl-1,3-dioxoindene-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

466.05283 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.06011 204.3
[M+Na]+ 489.04205 214.9
[M-H]- 465.04555 214.1
[M+NH4]+ 484.08665 218.6
[M+K]+ 505.01599 203.1
[M+H-H2O]+ 449.05009 201.8
[M+HCOO]- 511.05103 220.4
[M+CH3COO]- 525.06668 234.6
[M+Na-2H]- 487.02750 204.0
[M]+ 466.05228 225.9
[M]- 466.05338 225.9
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.