CID 383151

Nsc671192

Structural Information

Molecular Formula
C17H19NO6
SMILES
C1=CC(=C(C=C1CCC(=O)NCCC2=CC(=C(C(=C2)O)O)O)O)O
InChI
InChI=1S/C17H19NO6/c19-12-3-1-10(7-13(12)20)2-4-16(23)18-6-5-11-8-14(21)17(24)15(22)9-11/h1,3,7-9,19-22,24H,2,4-6H2,(H,18,23)
InChIKey
HDQKGDXWDWTJLW-UHFFFAOYSA-N
Compound name
3-(3,4-dihydroxyphenyl)-N-[2-(3,4,5-trihydroxyphenyl)ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.12125 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.12853 175.6
[M+Na]+ 356.11047 181.5
[M-H]- 332.11397 176.3
[M+NH4]+ 351.15507 185.8
[M+K]+ 372.08441 177.1
[M+H-H2O]+ 316.11851 168.2
[M+HCOO]- 378.11945 192.6
[M+CH3COO]- 392.13510 203.4
[M+Na-2H]- 354.09592 175.6
[M]+ 333.12070 175.0
[M]- 333.12180 175.0
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.