CID 125181303

5zn67rpp5e

Structural Information

Molecular Formula

C₂₃H₂₂N₂O₂

SMILES

CCCCCN1C2=CC=CC=C2C(=N1)C(=O)OC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H22N2O2/c1-2-3-8-16-25-20-14-7-6-13-19(20)22(24-25)23(26)27-21-15-9-11-17-10-4-5-12-18(17)21/h4-7,9-15H,2-3,8,16H2,1H3

InChIKey

JBVNFKZVDLFOAY-UHFFFAOYSA-N

Compound name

naphthalen-1-yl 1-pentylindazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 358.16812 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]+	359.175396	188.7
[M+Na]+	381.157338	197.2
[M-H]-	357.160844	194.5
[M+NH4]+	376.201943	202.2
[M+K]+	397.131278	190.6
[M+H-H2O]+	341.165380	178.3
[M+HCOO]-	403.166321	208.3
[M+CH3COO]-	417.181971	198.8
[M+Na-2H]-	379.142786	192.3
[M]+	358.16757142	193.7
[M]-	358.16866858	193.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.