CID 7018162

Z-d-glu-obzl

Structural Information

Molecular Formula
C20H21NO6
SMILES
C1=CC=C(C=C1)COC(=O)[C@@H](CCC(=O)O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C20H21NO6/c22-18(23)12-11-17(19(24)26-13-15-7-3-1-4-8-15)21-20(25)27-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,21,25)(H,22,23)/t17-/m1/s1
InChIKey
VWHKODOUMSMUAF-QGZVFWFLSA-N
Compound name
(4R)-5-oxo-5-phenylmethoxy-4-(phenylmethoxycarbonylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

371.1369 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.14418 187.0
[M+Na]+ 394.12612 195.6
[M+NH4]+ 389.17072 190.9
[M+K]+ 410.10006 191.5
[M-H]- 370.12962 187.9
[M+Na-2H]- 392.11157 191.8
[M]+ 371.13635 187.9
[M]- 371.13745 187.9
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