CID 89390

N-(benzyloxycarbonyl)-o-benzyl-l-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

156
Patents

329.1263 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.13358 176.4
[M+Na]+ 352.11552 179.1
[M-H]- 328.11902 180.7
[M+NH4]+ 347.16012 188.1
[M+K]+ 368.08946 177.0
[M+H-H2O]+ 312.12356 167.5
[M+HCOO]- 374.12450 197.3
[M+CH3COO]- 388.14015 206.5
[M+Na-2H]- 350.10097 178.8
[M]+ 329.12575 177.9
[M]- 329.12685 177.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe