CID 44153421

N-piperoylphenylalanine

Structural Information

Molecular Formula
C21H19NO5
SMILES
C1OC2=C(O1)C=C(C=C2)/C=C/C=C/C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C21H19NO5/c23-20(22-17(21(24)25)12-15-6-2-1-3-7-15)9-5-4-8-16-10-11-18-19(13-16)27-14-26-18/h1-11,13,17H,12,14H2,(H,22,23)(H,24,25)/b8-4+,9-5+/t17-/m0/s1
InChIKey
PUONKJCAZBJHHL-AAUSXKQESA-N
Compound name
(2S)-2-[[(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]amino]-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1263 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.13358 187.3
[M+Na]+ 388.11552 196.7
[M+NH4]+ 383.16012 192.1
[M+K]+ 404.08946 193.6
[M-H]- 364.11902 191.4
[M+Na-2H]- 386.10097 189.8
[M]+ 365.12575 189.3
[M]- 365.12685 189.3
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

No patent data available for this compound.