CID 26137

13623-57-9

Structural Information

Molecular Formula

C₁₃H₁₂N₂

SMILES

C1CN=C(N1)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C13H12N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-7H,8-9H2,(H,14,15)

InChIKey

MDCXOIKCXHEYQK-UHFFFAOYSA-N

Compound name

2-naphthalen-1-yl-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 196.10005 Da
Monoisotopic Mass: 2.1
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]+	197.107326	142.0
[M+Na]+	219.089268	150.1
[M-H]-	195.092774	145.5
[M+NH4]+	214.133873	160.6
[M+K]+	235.063208	144.8
[M+H-H2O]+	179.097310	133.9
[M+HCOO]-	241.098251	161.9
[M+CH3COO]-	255.113901	154.3
[M+Na-2H]-	217.074716	148.8
[M]+	196.09950142	138.5
[M]-	196.10059858	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe