CID 1808449

53781-03-6

Structural Information

Molecular Formula

C₂₂H₁₆O₂

SMILES

COC1=CC=C(C=C1)C=C2C3=CC=CC=C3C(=O)C4=CC=CC=C42

InChI

InChI=1S/C22H16O2/c1-24-16-12-10-15(11-13-16)14-21-17-6-2-4-8-19(17)22(23)20-9-5-3-7-18(20)21/h2-14H,1H3

InChIKey

VECJQPCZMNEKNR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 312.11502 Da
Monoisotopic Mass: 4.9
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]+	313.12230	173.0
[M+Na]+	335.10424	181.8
[M-H]-	311.10774	181.4
[M+NH4]+	330.14884	189.4
[M+K]+	351.07818	175.0
[M+H-H2O]+	295.11228	163.8
[M+HCOO]-	357.11322	193.2
[M+CH3COO]-	371.12887	184.5
[M+Na-2H]-	333.08969	178.8
[M]+	312.11447	173.3
[M]-	312.11557	173.3

Literature stripe

literature stripe

Patent stripe

patents stripe