CID 15957866

Methyl 2,3-bis[[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]propanoate

Structural Information

Molecular Formula
C22H22N2O8
SMILES
COC(=O)C(CNC(=O)/C=C/C1=CC(=C(C=C1)O)O)NC(=O)/C=C/C2=CC(=C(C=C2)O)O
InChI
InChI=1S/C22H22N2O8/c1-32-22(31)15(24-21(30)9-5-14-3-7-17(26)19(28)11-14)12-23-20(29)8-4-13-2-6-16(25)18(27)10-13/h2-11,15,25-28H,12H2,1H3,(H,23,29)(H,24,30)/b8-4+,9-5+
InChIKey
SGARTFBQUHNNPI-KBXRYBNXSA-N
Compound name
methyl 2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

442.1376 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.144876 201.6
[M+Na]+ 465.126818 203.8
[M-H]- 441.130324 202.6
[M+NH4]+ 460.171423 206.7
[M+K]+ 481.100758 200.8
[M+H-H2O]+ 425.134860 192.7
[M+HCOO]- 487.135801 217.6
[M+CH3COO]- 501.151451 227.2
[M+Na-2H]- 463.112266 197.8
[M]+ 442.13705142 201.2
[M]- 442.13814858 201.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.