CID 125181363

Cbl-018

Structural Information

Molecular Formula

C₂₄H₂₃NO₂

SMILES

CCCCCN1C=C(C2=CC=CC=C21)C(=O)OC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H23NO2/c1-2-3-8-16-25-17-21(20-13-6-7-14-22(20)25)24(26)27-23-15-9-11-18-10-4-5-12-19(18)23/h4-7,9-15,17H,2-3,8,16H2,1H3

InChIKey

OPGWGURMDQAFPD-UHFFFAOYSA-N

Compound name

naphthalen-1-yl 1-pentylindole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 357.17288 Da
Monoisotopic Mass: 6.4
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]+	358.180156	189.0
[M+Na]+	380.162098	197.2
[M-H]-	356.165604	196.2
[M+NH4]+	375.206703	204.1
[M+K]+	396.136038	190.6
[M+H-H2O]+	340.170140	179.4
[M+HCOO]-	402.171081	209.7
[M+CH3COO]-	416.186731	199.5
[M+Na-2H]-	378.147546	192.1
[M]+	357.17233142	193.9
[M]-	357.17342858	193.9

Literature stripe

literature stripe

Patent stripe

patents stripe