CID 2803

Clonidine

Structural Information

Molecular Formula
C9H9Cl2N3
SMILES
C1CN=C(N1)NC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
InChIKey
GJSURZIOUXUGAL-UHFFFAOYSA-N
Compound name
N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

15644
References

74682
Patents

229.01735 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.02463 147.4
[M+Na]+ 252.00657 156.7
[M-H]- 228.01007 149.3
[M+NH4]+ 247.05117 164.8
[M+K]+ 267.98051 150.0
[M+H-H2O]+ 212.01461 140.2
[M+HCOO]- 274.01555 159.6
[M+CH3COO]- 288.03120 159.0
[M+Na-2H]- 249.99202 151.5
[M]+ 229.01680 146.0
[M]- 229.01790 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe