CID 46917263

1246213-24-0

Structural Information

Molecular Formula
C24H26N2O5
SMILES
CC(C)(C)C1=CC(=C(C=C1NC(=O)C2=CNC3=CC=CC=C3C2=O)O)C(C)(C)C(=O)O
InChI
InChI=1S/C24H26N2O5/c1-23(2,3)15-10-16(24(4,5)22(30)31)19(27)11-18(15)26-21(29)14-12-25-17-9-7-6-8-13(17)20(14)28/h6-12,27H,1-5H3,(H,25,28)(H,26,29)(H,30,31)
InChIKey
JYPYTFLCNPMVBC-UHFFFAOYSA-N
Compound name
2-[5-tert-butyl-2-hydroxy-4-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

67
Patents

422.18417 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.191446 201.3
[M+Na]+ 445.173388 207.1
[M-H]- 421.176894 204.0
[M+NH4]+ 440.217993 208.7
[M+K]+ 461.147328 202.7
[M+H-H2O]+ 405.181430 193.5
[M+HCOO]- 467.182371 213.1
[M+CH3COO]- 481.198021 226.7
[M+Na-2H]- 443.158836 203.5
[M]+ 422.18362142 201.5
[M]- 422.18471858 201.5
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