CID 334247

81721-82-6

Structural Information

Molecular Formula

C₂₂H₁₃NO₂

SMILES

C1=CC=C(C=C1)N2C3=C(C4=CC=CC=C4C2=O)C(=O)C5=CC=CC=C53

InChI

InChI=1S/C22H13NO2/c24-21-17-12-6-5-11-16(17)20-19(21)15-10-4-7-13-18(15)22(25)23(20)14-8-2-1-3-9-14/h1-13H

InChIKey

WSCFBMNKAKJCHD-UHFFFAOYSA-N

Compound name

6-phenylindeno[1,2-c]isoquinoline-5,11-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 4
Patents: 323.09464 Da
Monoisotopic Mass: 3.9
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]+	324.10192	175.2
[M+Na]+	346.08386	186.8
[M-H]-	322.08736	184.3
[M+NH4]+	341.12846	192.7
[M+K]+	362.05780	179.1
[M+H-H2O]+	306.09190	165.9
[M+HCOO]-	368.09284	195.8
[M+CH3COO]-	382.10849	187.4
[M+Na-2H]-	344.06931	180.7
[M]+	323.09409	177.4
[M]-	323.09519	177.4

Literature stripe

literature stripe

Patent stripe

patents stripe