CID 68914

Piclonidine

Structural Information

Molecular Formula

C₁₄H₁₇Cl₂N₃O

SMILES

C1CCOC(C1)N(C2=C(C=CC=C2Cl)Cl)C3=NCCN3

InChI

InChI=1S/C14H17Cl2N3O/c15-10-4-3-5-11(16)13(10)19(14-17-7-8-18-14)12-6-1-2-9-20-12/h3-5,12H,1-2,6-9H2,(H,17,18)

InChIKey

NYQGJEQCYOJBPV-UHFFFAOYSA-N

Compound name

N-(2,6-dichlorophenyl)-N-(oxan-2-yl)-4,5-dihydro-1H-imidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 73
Patents: 313.07486 Da
Monoisotopic Mass: 2.9
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]+	314.082136	172.0
[M+Na]+	336.064078	177.5
[M-H]-	312.067584	177.7
[M+NH4]+	331.108683	184.5
[M+K]+	352.038018	172.6
[M+H-H2O]+	296.072120	162.7
[M+HCOO]-	358.073061	179.3
[M+CH3COO]-	372.088711	181.2
[M+Na-2H]-	334.049526	172.4
[M]+	313.07431142	169.2
[M]-	313.07540858	169.2

Literature stripe

literature stripe

Patent stripe

patents stripe