CID 44397540

864445-43-2

Structural Information

Molecular Formula

C₂₂H₂₅NO₂

SMILES

CCCCCN1C=C(C2=CC=CC=C21)C(=O)CC3=CC=CC=C3OC

InChI

InChI=1S/C22H25NO2/c1-3-4-9-14-23-16-19(18-11-6-7-12-20(18)23)21(24)15-17-10-5-8-13-22(17)25-2/h5-8,10-13,16H,3-4,9,14-15H2,1-2H3

InChIKey

FFLSJIQJQKDDCM-UHFFFAOYSA-N

Compound name

2-(2-methoxyphenyl)-1-(1-pentylindol-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 17
References: 72
Patents: 335.18854 Da
Monoisotopic Mass: 5.0
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]+	336.19582	183.5
[M+Na]+	358.17776	191.4
[M-H]-	334.18126	189.7
[M+NH4]+	353.22236	198.7
[M+K]+	374.15170	185.7
[M+H-H2O]+	318.18580	174.5
[M+HCOO]-	380.18674	205.3
[M+CH3COO]-	394.20239	213.2
[M+Na-2H]-	356.16321	185.0
[M]+	335.18799	189.3
[M]-	335.18909	189.3

Literature stripe

literature stripe

Patent stripe

patents stripe