CID 91864534

Nm-2201

Structural Information

Molecular Formula

C₂₄H₂₂FNO₂

SMILES

C1=CC=C2C(=C1)C=CC=C2OC(=O)C3=CN(C4=CC=CC=C43)CCCCCF

InChI

InChI=1S/C24H22FNO2/c25-15-6-1-7-16-26-17-21(20-12-4-5-13-22(20)26)24(27)28-23-14-8-10-18-9-2-3-11-19(18)23/h2-5,8-14,17H,1,6-7,15-16H2

InChIKey

PRGFSQYZCKCBQO-UHFFFAOYSA-N

Compound name

naphthalen-1-yl 1-(5-fluoropentyl)indole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 2
Patents: 375.16345 Da
Monoisotopic Mass: 6.0
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]+	376.17073	192.2
[M+Na]+	398.15267	200.4
[M-H]-	374.15617	197.9
[M+NH4]+	393.19727	206.4
[M+K]+	414.12661	193.2
[M+H-H2O]+	358.16071	181.5
[M+HCOO]-	420.16165	211.7
[M+CH3COO]-	434.17730	202.0
[M+Na-2H]-	396.13812	194.6
[M]+	375.16290	196.0
[M]-	375.16400	196.0

Literature stripe

literature stripe

Patent stripe

patents stripe