CID 46897962

N-(2-(tert-butyl)-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

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 201.1
[M+Na]+ 431.19412 207.3
[M-H]- 407.19762 203.8
[M+NH4]+ 426.23872 209.4
[M+K]+ 447.16806 201.9
[M+H-H2O]+ 391.20216 193.2
[M+HCOO]- 453.20310 213.6
[M+CH3COO]- 467.21875 224.1
[M+Na-2H]- 429.17957 204.0
[M]+ 408.20435 201.2
[M]- 408.20545 201.2
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