CID 5311309

Nateglinide

Structural Information

Molecular Formula
C19H27NO3
SMILES
CC(C)C1CCC(CC1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C19H27NO3/c1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,20,21)(H,22,23)/t15?,16?,17-/m1/s1
InChIKey
OELFLUMRDSZNSF-OFLPRAFFSA-N
Compound name
(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

696
References

37221
Patents

317.1991 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.20638 178.3
[M+Na]+ 340.18832 186.2
[M+NH4]+ 335.23292 184.3
[M+K]+ 356.16226 181.5
[M-H]- 316.19182 180.5
[M+Na-2H]- 338.17377 181.9
[M]+ 317.19855 179.6
[M]- 317.19965 179.6
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