CID 389931

Nsc686584

Structural Information

Molecular Formula
C17H19NO5
SMILES
C1=CC(=C(C=C1CCC(=O)NCCC2=CC(=CC(=C2)O)O)O)O
InChI
InChI=1S/C17H19NO5/c19-13-7-12(8-14(20)10-13)5-6-18-17(23)4-2-11-1-3-15(21)16(22)9-11/h1,3,7-10,19-22H,2,4-6H2,(H,18,23)
InChIKey
OJKLEYZOZVVURX-UHFFFAOYSA-N
Compound name
3-(3,4-dihydroxyphenyl)-N-[2-(3,5-dihydroxyphenyl)ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.1263 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.13358 172.7
[M+Na]+ 340.11552 178.5
[M-H]- 316.11902 174.4
[M+NH4]+ 335.16012 184.2
[M+K]+ 356.08946 173.8
[M+H-H2O]+ 300.12356 165.2
[M+HCOO]- 362.12450 191.1
[M+CH3COO]- 376.14015 201.6
[M+Na-2H]- 338.10097 173.8
[M]+ 317.12575 172.1
[M]- 317.12685 172.1
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.