CID 3084422

Phenamazoline

Structural Information

Molecular Formula

C₁₀H₁₃N₃

SMILES

C1CN=C(N1)CNC2=CC=CC=C2

InChI

InChI=1S/C10H13N3/c1-2-4-9(5-3-1)13-8-10-11-6-7-12-10/h1-5,13H,6-8H2,(H,11,12)

InChIKey

FPZTYKLEJPXTKD-UHFFFAOYSA-N

Compound name

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 156
Patents: 175.11095 Da
Monoisotopic Mass: 0.9
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]+	176.118226	136.6
[M+Na]+	198.100168	142.6
[M-H]-	174.103674	138.9
[M+NH4]+	193.144773	154.4
[M+K]+	214.074108	138.9
[M+H-H2O]+	158.108210	128.2
[M+HCOO]-	220.109151	158.7
[M+CH3COO]-	234.124801	148.6
[M+Na-2H]-	196.085616	143.4
[M]+	175.11040142	132.1
[M]-	175.11149858	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe