CID 2761513

254101-10-5

Structural Information

Molecular Formula
C17H23NO6
SMILES
CC(C)(C)OC(=O)N[C@H](CC(=O)O)CC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C17H23NO6/c1-17(2,3)24-16(22)18-13(9-14(19)20)10-15(21)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,20)/t13-/m1/s1
InChIKey
FAFJSSKTLCNWRJ-CYBMUJFWSA-N
Compound name
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

337.15253 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.15981 178.0
[M+Na]+ 360.14175 184.0
[M+NH4]+ 355.18635 180.9
[M+K]+ 376.11569 182.4
[M-H]- 336.14525 175.4
[M+Na-2H]- 358.12720 179.3
[M]+ 337.15198 177.5
[M]- 337.15308 177.5
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