CID 44257640

Dimethylstrobochrysin

Structural Information

Molecular Formula

C₁₈H₁₆O₄

SMILES

CC1=C(C=C2C(=C1OC)C(=O)C=C(O2)C3=CC=CC=C3)OC

InChI

InChI=1S/C18H16O4/c1-11-14(20-2)10-16-17(18(11)21-3)13(19)9-15(22-16)12-7-5-4-6-8-12/h4-10H,1-3H3

InChIKey

LDGCKWYSZUGWHS-UHFFFAOYSA-N

Compound name

5,7-dimethoxy-6-methyl-2-phenylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 1
Patents: 296.10486 Da
Monoisotopic Mass: 3.5
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]+	297.112136	165.9
[M+Na]+	319.094078	176.8
[M-H]-	295.097584	175.4
[M+NH4]+	314.138683	181.5
[M+K]+	335.068018	174.5
[M+H-H2O]+	279.102120	157.7
[M+HCOO]-	341.103061	188.6
[M+CH3COO]-	355.118711	205.3
[M+Na-2H]-	317.079526	172.1
[M]+	296.10431142	172.6
[M]-	296.10540858	172.6

Literature stripe

literature stripe

Patent stripe

patents stripe