CID 3018966

Schembl10885541

Structural Information

Molecular Formula

C₂₃H₂₃NO₂

SMILES

CC1(C2=CC=CC=C2N(C1=CC=C3CC4=C(C3=O)C=CC(=C4)OC)C)C

InChI

InChI=1S/C23H23NO2/c1-23(2)19-7-5-6-8-20(19)24(3)21(23)12-9-15-13-16-14-17(26-4)10-11-18(16)22(15)25/h5-12,14H,13H2,1-4H3

InChIKey

ZPOYEVJBRHNQGP-UHFFFAOYSA-N

Compound name

5-methoxy-2-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-3H-inden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 345.17288 Da
Monoisotopic Mass: 5.1
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]+	346.180156	185.5
[M+Na]+	368.162098	196.0
[M-H]-	344.165604	193.6
[M+NH4]+	363.206703	205.9
[M+K]+	384.136038	188.7
[M+H-H2O]+	328.170140	178.6
[M+HCOO]-	390.171081	204.7
[M+CH3COO]-	404.186731	197.1
[M+Na-2H]-	366.147546	183.9
[M]+	345.17233142	187.6
[M]-	345.17342858	187.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe