CID 89390

Cbz-o-benzyl-dl-serine

Structural Information

Molecular Formula

C₁₈H₁₉NO₅

SMILES

C1=CC=C(C=C1)COCC(C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H19NO5/c20-17(21)16(13-23-11-14-7-3-1-4-8-14)19-18(22)24-12-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,22)(H,20,21)

InChIKey

CYYRLHUAMWRBHC-UHFFFAOYSA-N

Compound name

3-phenylmethoxy-2-(phenylmethoxycarbonylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 154
Patents: 329.1263 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	330.13358	177.2
[M+Na]+	352.11552	187.1
[M+NH4]+	347.16012	182.4
[M+K]+	368.08946	182.0
[M-H]-	328.11902	179.2
[M+Na-2H]-	350.10097	183.3
[M]+	329.12575	178.7
[M]-	329.12685	178.7

Literature stripe

literature stripe

Patent stripe

patents stripe