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

15
Patents

285.1365 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14378 167.7
[M+Na]+ 308.12572 171.6
[M-H]- 284.12922 172.9
[M+NH4]+ 303.17032 181.9
[M+K]+ 324.09966 168.7
[M+H-H2O]+ 268.13376 159.0
[M+HCOO]- 330.13470 190.2
[M+CH3COO]- 344.15035 201.6
[M+Na-2H]- 306.11117 170.9
[M]+ 285.13595 168.2
[M]- 285.13705 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