CID 6449722

N-cinnamoyl-d,l-valine methyl ester

Structural Information

Molecular Formula
C15H19NO3
SMILES
CC(C)[C@@H](C(=O)OC)NC(=O)/C=C/C1=CC=CC=C1
InChI
InChI=1S/C15H19NO3/c1-11(2)14(15(18)19-3)16-13(17)10-9-12-7-5-4-6-8-12/h4-11,14H,1-3H3,(H,16,17)/b10-9+/t14-/m0/s1
InChIKey
FPCRRVNOCVWNIW-HBWSCVEGSA-N
Compound name
methyl (2S)-3-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

261.1365 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14378 162.7
[M+Na]+ 284.12572 171.5
[M+NH4]+ 279.17032 168.3
[M+K]+ 300.09966 167.0
[M-H]- 260.12922 162.9
[M+Na-2H]- 282.11117 166.4
[M]+ 261.13595 163.5
[M]- 261.13705 163.5
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