CID 4518223

21948-10-7

Structural Information

Molecular Formula
C17H19NO3
SMILES
C1=CC=C(C=C1)COCC(C(=O)OCC2=CC=CC=C2)N
InChI
InChI=1S/C17H19NO3/c18-16(13-20-11-14-7-3-1-4-8-14)17(19)21-12-15-9-5-2-6-10-15/h1-10,16H,11-13,18H2
InChIKey
ZYSSRDBCZVJBPQ-UHFFFAOYSA-N
Compound name
benzyl 2-amino-3-phenylmethoxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

285.1365 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.143776 167.7
[M+Na]+ 308.125718 171.6
[M-H]- 284.129224 172.9
[M+NH4]+ 303.170323 181.9
[M+K]+ 324.099658 168.7
[M+H-H2O]+ 268.133760 159.0
[M+HCOO]- 330.134701 190.2
[M+CH3COO]- 344.150351 201.6
[M+Na-2H]- 306.111166 170.9
[M]+ 285.13595142 168.2
[M]- 285.13704858 168.2
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