CID 20866

4751-46-6

Structural Information

Molecular Formula

C₁₃H₁₃N₃

SMILES

C1CN=C(N1)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C13H13N3/c1-2-6-11-10(4-1)5-3-7-12(11)16-13-14-8-9-15-13/h1-7H,8-9H2,(H2,14,15,16)

InChIKey

CVSIGGCDCSNCSY-UHFFFAOYSA-N

Compound name

N-naphthalen-1-yl-4,5-dihydro-1H-imidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 211.11095 Da
Monoisotopic Mass: 1.9
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]+	212.118226	144.7
[M+Na]+	234.100168	151.9
[M-H]-	210.103674	148.2
[M+NH4]+	229.144773	162.3
[M+K]+	250.074108	146.5
[M+H-H2O]+	194.108210	136.3
[M+HCOO]-	256.109151	165.7
[M+CH3COO]-	270.124801	156.5
[M+Na-2H]-	232.085616	152.2
[M]+	211.11040142	140.5
[M]-	211.11149858	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe