CID 129514125

(1-(5-bromopentyl)-1h-indazol-3-yl)(naphthalen-1-yl)methanone

Structural Information

Molecular Formula

C₂₃H₂₁BrN₂O

SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)C3=NN(C4=CC=CC=C43)CCCCCBr

InChI

InChI=1S/C23H21BrN2O/c24-15-6-1-7-16-26-21-14-5-4-12-20(21)22(25-26)23(27)19-13-8-10-17-9-2-3-11-18(17)19/h2-5,8-14H,1,6-7,15-16H2

InChIKey

CHDPCRSBPAVUIZ-UHFFFAOYSA-N

Compound name

[1-(5-bromopentyl)indazol-3-yl]-naphthalen-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 420.08374 Da
Monoisotopic Mass: 6.3
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]+	421.091016	197.7
[M+Na]+	443.072958	208.7
[M-H]-	419.076464	205.8
[M+NH4]+	438.117563	212.7
[M+K]+	459.046898	194.9
[M+H-H2O]+	403.081000	194.8
[M+HCOO]-	465.081941	214.9
[M+CH3COO]-	479.097591	209.0
[M+Na-2H]-	441.058406	201.8
[M]+	420.08319142	219.6
[M]-	420.08428858	219.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe