CID 11358607

64125-32-2

Structural Information

Molecular Formula

C₂₀H₁₆O₃

SMILES

CC1(C=CC2=C(O1)C=CC3=C2OC(=CC3=O)C4=CC=CC=C4)C

InChI

InChI=1S/C20H16O3/c1-20(2)11-10-15-17(23-20)9-8-14-16(21)12-18(22-19(14)15)13-6-4-3-5-7-13/h3-12H,1-2H3

InChIKey

RBKWJAHRWPDNPM-UHFFFAOYSA-N

Compound name

8,8-dimethyl-2-phenylpyrano[2,3-f]chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 22
Patents: 304.10995 Da
Monoisotopic Mass: 4.1
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]+	305.11723	169.9
[M+Na]+	327.09917	180.8
[M-H]-	303.10267	180.5
[M+NH4]+	322.14377	186.3
[M+K]+	343.07311	178.2
[M+H-H2O]+	287.10721	160.9
[M+HCOO]-	349.10815	189.0
[M+CH3COO]-	363.12380	182.8
[M+Na-2H]-	325.08462	178.9
[M]+	304.10940	173.5
[M]-	304.11050	173.5

Literature stripe

literature stripe

Patent stripe

patents stripe