CID 100062

Oh-ubenimex

Structural Information

Molecular Formula
C16H24N2O5
SMILES
CC(C)CC(C(=O)O)NC(=O)C(C(CC1=CC=C(C=C1)O)N)O
InChI
InChI=1S/C16H24N2O5/c1-9(2)7-13(16(22)23)18-15(21)14(20)12(17)8-10-3-5-11(19)6-4-10/h3-6,9,12-14,19-20H,7-8,17H2,1-2H3,(H,18,21)(H,22,23)
InChIKey
FRMXVEDKXFUWRZ-UHFFFAOYSA-N
Compound name
2-[[3-amino-2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.16852 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.17580 177.5
[M+Na]+ 347.15774 181.4
[M+NH4]+ 342.20234 179.9
[M+K]+ 363.13168 181.4
[M-H]- 323.16124 174.9
[M+Na-2H]- 345.14319 176.5
[M]+ 324.16797 176.4
[M]- 324.16907 176.4
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

No patent data available for this compound.