CID 4561839

502686-30-8

Structural Information

Molecular Formula
C18H21NO3
SMILES
CCOC(=O)CC(C1=CC=C(C=C1)OCC2=CC=CC=C2)N
InChI
InChI=1S/C18H21NO3/c1-2-21-18(20)12-17(19)15-8-10-16(11-9-15)22-13-14-6-4-3-5-7-14/h3-11,17H,2,12-13,19H2,1H3
InChIKey
CNUONIQYWHGUDA-UHFFFAOYSA-N
Compound name
ethyl 3-amino-3-(4-phenylmethoxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

299.15213 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15941 172.2
[M+Na]+ 322.14135 176.6
[M-H]- 298.14485 177.7
[M+NH4]+ 317.18595 186.2
[M+K]+ 338.11529 173.6
[M+H-H2O]+ 282.14939 163.5
[M+HCOO]- 344.15033 194.4
[M+CH3COO]- 358.16598 205.8
[M+Na-2H]- 320.12680 174.2
[M]+ 299.15158 173.5
[M]- 299.15268 173.5
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