CID 6283743

Lonchocarpin

Structural Information

Molecular Formula

C₂₀H₁₈O₃

SMILES

CC1(C=CC2=C(O1)C=CC(=C2O)C(=O)/C=C/C3=CC=CC=C3)C

InChI

InChI=1S/C20H18O3/c1-20(2)13-12-16-18(23-20)11-9-15(19(16)22)17(21)10-8-14-6-4-3-5-7-14/h3-13,22H,1-2H3/b10-8+

InChIKey

UEXPKLJRGIWQBF-CSKARUKUSA-N

Compound name

(E)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)-3-phenylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 15
Patents: 306.12558 Da
Monoisotopic Mass: 4.8
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]+	307.132856	172.3
[M+Na]+	329.114798	180.4
[M-H]-	305.118304	179.4
[M+NH4]+	324.159403	188.1
[M+K]+	345.088738	176.3
[M+H-H2O]+	289.122840	164.6
[M+HCOO]-	351.123781	190.5
[M+CH3COO]-	365.139431	203.5
[M+Na-2H]-	327.100246	177.3
[M]+	306.12503142	173.2
[M]-	306.12612858	173.2

Literature stripe

literature stripe

Patent stripe

patents stripe