CID 1595568

Z-d-glu(obzl)-oh

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

6
References

189
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 187.2
[M+Na]+ 394.12612 188.8
[M-H]- 370.12962 191.2
[M+NH4]+ 389.17072 196.8
[M+K]+ 410.10006 187.0
[M+H-H2O]+ 354.13416 177.8
[M+HCOO]- 416.13510 206.8
[M+CH3COO]- 430.15075 214.1
[M+Na-2H]- 392.11157 187.4
[M]+ 371.13635 189.3
[M]- 371.13745 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