CID 92660

4-hydroxyclonidine

Structural Information

Molecular Formula

C₉H₉Cl₂N₃O

SMILES

C1CN=C(N1)NC2=C(C=C(C=C2Cl)O)Cl

InChI

InChI=1S/C9H9Cl2N3O/c10-6-3-5(15)4-7(11)8(6)14-9-12-1-2-13-9/h3-4,15H,1-2H2,(H2,12,13,14)

InChIKey

NTWBRPXHGAXREI-UHFFFAOYSA-N

Compound name

3,5-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 54
Patents: 245.01227 Da
Monoisotopic Mass: 1.5
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]+	246.01955	148.9
[M+Na]+	268.00149	162.0
[M+NH4]+	263.04609	156.8
[M+K]+	283.97543	157.0
[M-H]-	244.00499	151.0
[M+Na-2H]-	265.98694	155.5
[M]+	245.01172	151.7
[M]-	245.01282	151.7

Literature stripe

literature stripe

Patent stripe

patents stripe