CID 10471670

208987-48-8

Structural Information

Molecular Formula

C₂₃H₂₁NO

SMILES

CCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H21NO/c1-2-3-15-24-16-21(19-12-6-7-14-22(19)24)23(25)20-13-8-10-17-9-4-5-11-18(17)20/h4-14,16H,2-3,15H2,1H3

InChIKey

VCHHHSMPMLNVGS-UHFFFAOYSA-N

Compound name

(1-butylindol-3-yl)-naphthalen-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 50
References: 426
Patents: 327.16232 Da
Monoisotopic Mass: 5.8
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]+	328.169596	180.8
[M+Na]+	350.151538	189.7
[M-H]-	326.155044	188.1
[M+NH4]+	345.196143	197.1
[M+K]+	366.125478	182.5
[M+H-H2O]+	310.159580	171.6
[M+HCOO]-	372.160521	201.7
[M+CH3COO]-	386.176171	192.0
[M+Na-2H]-	348.136986	184.4
[M]+	327.16177142	184.1
[M]-	327.16286858	184.1

Literature stripe

literature stripe

Patent stripe

patents stripe