CID 332361

10-(4-methylbenzylidene)anthrone

Structural Information

Molecular Formula

C₂₂H₁₆O

SMILES

CC1=CC=C(C=C1)C=C2C3=CC=CC=C3C(=O)C4=CC=CC=C42

InChI

InChI=1S/C22H16O/c1-15-10-12-16(13-11-15)14-21-17-6-2-4-8-19(17)22(23)20-9-5-3-7-18(20)21/h2-14H,1H3

InChIKey

KCTYMDUWWAPGIO-UHFFFAOYSA-N

Compound name

10-[(4-methylphenyl)methylidene]anthracen-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 296.12012 Da
Monoisotopic Mass: 5.3
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]+	297.127396	169.4
[M+Na]+	319.109338	178.4
[M-H]-	295.112844	177.8
[M+NH4]+	314.153943	186.6
[M+K]+	335.083278	170.9
[M+H-H2O]+	279.117380	160.5
[M+HCOO]-	341.118321	189.4
[M+CH3COO]-	355.133971	181.1
[M+Na-2H]-	317.094786	175.1
[M]+	296.11957142	168.3
[M]-	296.12066858	168.3

Literature stripe

literature stripe

Patent stripe

patents stripe