CID 23786454

Megxp0_001925

Structural Information

Molecular Formula

C₂₁H₂₂O₅

SMILES

CC(=CCC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)OC)O)C

InChI

InChI=1S/C21H22O5/c1-12(2)4-9-15-16(22)10-19-20(21(15)24)17(23)11-18(26-19)13-5-7-14(25-3)8-6-13/h4-8,10,18,22,24H,9,11H2,1-3H3

InChIKey

ZTDRTMVBTLHQII-UHFFFAOYSA-N

Compound name

5,7-dihydroxy-2-(4-methoxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 354.14673 Da
Monoisotopic Mass: 4.6
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]+	355.154006	183.8
[M+Na]+	377.135948	191.2
[M-H]-	353.139454	189.6
[M+NH4]+	372.180553	195.5
[M+K]+	393.109888	187.7
[M+H-H2O]+	337.143990	176.0
[M+HCOO]-	399.144931	198.9
[M+CH3COO]-	413.160581	213.5
[M+Na-2H]-	375.121396	184.0
[M]+	354.14618142	185.7
[M]-	354.14727858	185.7

Literature stripe

literature stripe

Patent stripe

patents stripe