CID 11340230

851884-87-2

Structural Information

Molecular Formula
C26H28N2O6
SMILES
C[C@@H](CC1=CC=CC=C1)OC2=CC(=CC(=C2)C(=O)NC3=NC=C(C=C3)C(=O)O)O[C@@H](C)COC
InChI
InChI=1S/C26H28N2O6/c1-17(11-19-7-5-4-6-8-19)33-22-12-21(13-23(14-22)34-18(2)16-32-3)25(29)28-24-10-9-20(15-27-24)26(30)31/h4-10,12-15,17-18H,11,16H2,1-3H3,(H,30,31)(H,27,28,29)/t17-,18-/m0/s1
InChIKey
OCBMECSFDVUYQN-ROUUACIJSA-N
Compound name
6-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[(2S)-1-phenylpropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

145
Patents

464.19473 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.20201 211.7
[M+Na]+ 487.18395 222.7
[M+NH4]+ 482.22855 215.1
[M+K]+ 503.15789 217.8
[M-H]- 463.18745 215.0
[M+Na-2H]- 485.16940 218.1
[M]+ 464.19418 213.8
[M]- 464.19528 213.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe