CID 53394752

1346604-93-0

Structural Information

Molecular Formula

C₂₄H₂₃NO

SMILES

CC(C)CCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H23NO/c1-17(2)14-15-25-16-22(20-11-5-6-13-23(20)25)24(26)21-12-7-9-18-8-3-4-10-19(18)21/h3-13,16-17H,14-15H2,1-2H3

InChIKey

BBNUROBSKAJPGN-UHFFFAOYSA-N

Compound name

[1-(3-methylbutyl)indol-3-yl]-naphthalen-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 341.17798 Da
Monoisotopic Mass: 6.2
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]+	342.185256	185.6
[M+Na]+	364.167198	193.5
[M-H]-	340.170704	192.8
[M+NH4]+	359.211803	201.2
[M+K]+	380.141138	186.7
[M+H-H2O]+	324.175240	176.4
[M+HCOO]-	386.176181	205.0
[M+CH3COO]-	400.191831	196.1
[M+Na-2H]-	362.152646	187.5
[M]+	341.17743142	188.6
[M]-	341.17852858	188.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe