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

74
Patents

371.1369 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.144176 187.2
[M+Na]+ 394.126118 188.8
[M-H]- 370.129624 191.2
[M+NH4]+ 389.170723 196.8
[M+K]+ 410.100058 187.0
[M+H-H2O]+ 354.134160 177.8
[M+HCOO]- 416.135101 206.8
[M+CH3COO]- 430.150751 214.1
[M+Na-2H]- 392.111566 187.4
[M]+ 371.13635142 189.3
[M]- 371.13744858 189.3
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