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

64
Patents

408.2049 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.212176 201.1
[M+Na]+ 431.194118 207.3
[M-H]- 407.197624 203.8
[M+NH4]+ 426.238723 209.4
[M+K]+ 447.168058 201.9
[M+H-H2O]+ 391.202160 193.2
[M+HCOO]- 453.203101 213.6
[M+CH3COO]- 467.218751 224.1
[M+Na-2H]- 429.179566 204.0
[M]+ 408.20435142 201.2
[M]- 408.20544858 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