CID 4217959

27533-99-9

Structural Information

Molecular Formula

C₂₂H₁₆O₂

SMILES

CCC1=CC=C(C2=CC=CC=C12)C=C3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H16O2/c1-2-14-11-12-15(17-8-4-3-7-16(14)17)13-20-21(23)18-9-5-6-10-19(18)22(20)24/h3-13H,2H2,1H3

InChIKey

YEJHUGMDDBUQHF-UHFFFAOYSA-N

Compound name

2-[(4-ethylnaphthalen-1-yl)methylidene]indene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 312.11502 Da
Monoisotopic Mass: 5.5
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]+	313.122296	173.7
[M+Na]+	335.104238	183.8
[M-H]-	311.107744	182.8
[M+NH4]+	330.148843	192.5
[M+K]+	351.078178	176.4
[M+H-H2O]+	295.112280	166.2
[M+HCOO]-	357.113221	195.1
[M+CH3COO]-	371.128871	186.0
[M+Na-2H]-	333.089686	176.0
[M]+	312.11447142	174.8
[M]-	312.11556858	174.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe