CID 45268702

824960-02-3

Structural Information

Molecular Formula

C₂₇H₂₉NO

SMILES

CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=C(C4=CC=CC=C43)CCC

InChI

InChI=1S/C27H29NO/c1-3-5-10-18-28-19-25(23-14-8-9-15-26(23)28)27(29)24-17-16-20(11-4-2)21-12-6-7-13-22(21)24/h6-9,12-17,19H,3-5,10-11,18H2,1-2H3

InChIKey

AKGUMDFQXWZHHS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 33
Patents: 383.2249 Da
Monoisotopic Mass: 7.7
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]+	384.232176	199.8
[M+Na]+	406.214118	207.6
[M-H]-	382.217624	206.6
[M+NH4]+	401.258723	214.0
[M+K]+	422.188058	199.5
[M+H-H2O]+	366.222160	189.9
[M+HCOO]-	428.223101	219.1
[M+CH3COO]-	442.238751	209.4
[M+Na-2H]-	404.199566	200.3
[M]+	383.22435142	204.6
[M]-	383.22544858	204.6

Literature stripe

literature stripe

Patent stripe

patents stripe