CID 14563011

Falciformin

Structural Information

Molecular Formula

C₂₁H₂₂O₄

SMILES

CC(C)(C1=C(C=CC2=C1C(=O)CC(O2)C3=CC=CC=C3)OC)C(=C)O

InChI

InChI=1S/C21H22O4/c1-13(22)21(2,3)20-17(24-4)11-10-16-19(20)15(23)12-18(25-16)14-8-6-5-7-9-14/h5-11,18,22H,1,12H2,2-4H3

InChIKey

XHMVNELCFXCQCN-UHFFFAOYSA-N

Compound name

5-(3-hydroxy-2-methylbut-3-en-2-yl)-6-methoxy-2-phenyl-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 338.1518 Da
Monoisotopic Mass: 4.3
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]+	339.159076	179.6
[M+Na]+	361.141018	186.2
[M-H]-	337.144524	186.4
[M+NH4]+	356.185623	192.2
[M+K]+	377.114958	183.2
[M+H-H2O]+	321.149060	172.1
[M+HCOO]-	383.150001	194.6
[M+CH3COO]-	397.165651	211.9
[M+Na-2H]-	359.126466	182.6
[M]+	338.15125142	180.6
[M]-	338.15234858	180.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.