CID 46897962

1246213-23-9

Structural Information

Molecular Formula
C24H28N2O4
SMILES
CC(C)(C)C1=CC(=C(C=C1NC(=O)C2=CNC3=CC=CC=C3C2=O)O)C(C)(C)CO
InChI
InChI=1S/C24H28N2O4/c1-23(2,3)16-10-17(24(4,5)13-27)20(28)11-19(16)26-22(30)15-12-25-18-9-7-6-8-14(18)21(15)29/h6-12,27-28H,13H2,1-5H3,(H,25,29)(H,26,30)
InChIKey
HFNOECBPRSJRQD-UHFFFAOYSA-N
Compound name
N-[2-tert-butyl-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

61
Patents

408.2049 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.21218 200.4
[M+Na]+ 431.19412 211.9
[M+NH4]+ 426.23872 204.8
[M+K]+ 447.16806 207.3
[M-H]- 407.19762 201.7
[M+Na-2H]- 429.17957 204.9
[M]+ 408.20435 202.3
[M]- 408.20545 202.3
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