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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.01955 150.2
[M+Na]+ 268.00149 159.8
[M-H]- 244.00499 151.3
[M+NH4]+ 263.04609 166.5
[M+K]+ 283.97543 153.0
[M+H-H2O]+ 228.00953 143.7
[M+HCOO]- 290.01047 161.2
[M+CH3COO]- 304.02612 161.4
[M+Na-2H]- 265.98694 153.2
[M]+ 245.01172 148.9
[M]- 245.01282 148.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.