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

literature stripe

Patent stripe

patents stripe