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

64
Patents

422.18417 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.19145 201.3
[M+Na]+ 445.17339 207.1
[M-H]- 421.17689 204.0
[M+NH4]+ 440.21799 208.7
[M+K]+ 461.14733 202.7
[M+H-H2O]+ 405.18143 193.5
[M+HCOO]- 467.18237 213.1
[M+CH3COO]- 481.19802 226.7
[M+Na-2H]- 443.15884 203.5
[M]+ 422.18362 201.5
[M]- 422.18472 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