CID 13242778

87428-99-7

Structural Information

Molecular Formula
C19H19NO3
SMILES
C=C(CC1=CC=CC=C1)C(=O)NCC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C19H19NO3/c1-15(12-16-8-4-2-5-9-16)19(22)20-13-18(21)23-14-17-10-6-3-7-11-17/h2-11H,1,12-14H2,(H,20,22)
InChIKey
YKINYFHTXSOMQZ-UHFFFAOYSA-N
Compound name
benzyl 2-(2-benzylprop-2-enoylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

309.1365 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.14378 174.6
[M+Na]+ 332.12572 185.9
[M+NH4]+ 327.17032 181.0
[M+K]+ 348.09966 179.1
[M-H]- 308.12922 177.9
[M+Na-2H]- 330.11117 181.9
[M]+ 309.13595 176.9
[M]- 309.13705 176.9
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