CID 5281824

Ficine

Structural Information

Molecular Formula

C₂₀H₁₉NO₄

SMILES

CN1CCCC1C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4)O)O

InChI

InChI=1S/C20H19NO4/c1-21-9-5-8-13(21)18-14(22)10-15(23)19-16(24)11-17(25-20(18)19)12-6-3-2-4-7-12/h2-4,6-7,10-11,13,22-23H,5,8-9H2,1H3

InChIKey

YTRPTVLTUWVLKO-UHFFFAOYSA-N

Compound name

5,7-dihydroxy-8-(1-methylpyrrolidin-2-yl)-2-phenylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 252
Patents: 337.1314 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	338.13868	178.3
[M+Na]+	360.12062	187.4
[M-H]-	336.12412	186.7
[M+NH4]+	355.16522	190.9
[M+K]+	376.09456	182.6
[M+H-H2O]+	320.12866	170.1
[M+HCOO]-	382.12960	195.2
[M+CH3COO]-	396.14525	189.2
[M+Na-2H]-	358.10607	179.3
[M]+	337.13085	178.5
[M]-	337.13195	178.5

Literature stripe

literature stripe

Patent stripe

patents stripe