CID 2737035

150433-19-5

Structural Information

Molecular Formula

C₁₃H₁₀N₂

SMILES

C1=CC=C2C(=C1)C=CC=C2C3=CC=NN3

InChI

InChI=1S/C13H10N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-8-9-14-15-13/h1-9H,(H,14,15)

InChIKey

TVZLXTOULIAGKU-UHFFFAOYSA-N

Compound name

5-naphthalen-1-yl-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 194.0844 Da
Monoisotopic Mass: 3.1
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]+	195.091676	139.6
[M+Na]+	217.073618	149.8
[M-H]-	193.077124	143.9
[M+NH4]+	212.118223	158.5
[M+K]+	233.047558	144.0
[M+H-H2O]+	177.081660	131.7
[M+HCOO]-	239.082601	162.3
[M+CH3COO]-	253.098251	153.0
[M+Na-2H]-	215.059066	148.5
[M]+	194.08385142	139.0
[M]-	194.08494858	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe