CID 45266978

824959-87-7

Structural Information

Molecular Formula

C₂₅H₂₅NO

SMILES

CCCC1=CC=C(C2=CC=CC=C12)C(=O)C3=CN(C4=CC=CC=C43)CCC

InChI

InChI=1S/C25H25NO/c1-3-9-18-14-15-22(20-11-6-5-10-19(18)20)25(27)23-17-26(16-4-2)24-13-8-7-12-21(23)24/h5-8,10-15,17H,3-4,9,16H2,1-2H3

InChIKey

BMOMWXXAVVSIRU-UHFFFAOYSA-N

Compound name

(1-propylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 355.1936 Da
Monoisotopic Mass: 6.8
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]+	356.20088	190.4
[M+Na]+	378.18282	199.2
[M-H]-	354.18632	197.7
[M+NH4]+	373.22742	205.8
[M+K]+	394.15676	191.6
[M+H-H2O]+	338.19086	181.0
[M+HCOO]-	400.19180	210.5
[M+CH3COO]-	414.20745	201.0
[M+Na-2H]-	376.16827	192.1
[M]+	355.19305	194.7
[M]-	355.19415	194.7

Literature stripe

literature stripe

Patent stripe

patents stripe