CID 5472480

Dorsmanin a

Structural Information

Molecular Formula

C₂₀H₂₀O₄

SMILES

CC1(CCC2=C(O1)C=CC(=C2O)C(=O)/C=C/C3=CC=C(C=C3)O)C

InChI

InChI=1S/C20H20O4/c1-20(2)12-11-16-18(24-20)10-8-15(19(16)23)17(22)9-5-13-3-6-14(21)7-4-13/h3-10,21,23H,11-12H2,1-2H3/b9-5+

InChIKey

UDSAJERKQRQHJR-WEVVVXLNSA-N

Compound name

(E)-1-(5-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 324.13617 Da
Monoisotopic Mass: 4.5
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]+	325.143446	176.4
[M+Na]+	347.125388	183.8
[M-H]-	323.128894	182.1
[M+NH4]+	342.169993	191.0
[M+K]+	363.099328	179.9
[M+H-H2O]+	307.133430	169.2
[M+HCOO]-	369.134371	191.8
[M+CH3COO]-	383.150021	205.0
[M+Na-2H]-	345.110836	179.6
[M]+	324.13562142	176.1
[M]-	324.13671858	176.1

Literature stripe

literature stripe

Patent stripe

patents stripe