CID 3084606

35241-54-4

Structural Information

Molecular Formula

C₁₇H₁₈O₅

SMILES

COC1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2O)OC)O

InChI

InChI=1S/C17H18O5/c1-21-12-6-3-11(4-7-12)5-8-14(18)17-15(19)9-13(22-2)10-16(17)20/h3-4,6-7,9-10,19-20H,5,8H2,1-2H3

InChIKey

VVDZZNWYISOIDK-UHFFFAOYSA-N

Compound name

1-(2,6-dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 23
Patents: 302.11542 Da
Monoisotopic Mass: 3.3
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]+	303.12270	167.9
[M+Na]+	325.10464	175.5
[M-H]-	301.10814	172.5
[M+NH4]+	320.14924	181.8
[M+K]+	341.07858	172.4
[M+H-H2O]+	285.11268	160.4
[M+HCOO]-	347.11362	188.4
[M+CH3COO]-	361.12927	201.3
[M+Na-2H]-	323.09009	169.5
[M]+	302.11487	171.8
[M]-	302.11597	171.8

Literature stripe

literature stripe

Patent stripe

patents stripe