CID 32049

Fenmetozole hydrochloride

Structural Information

Molecular Formula
C10H10Cl2N2O
SMILES
C1CN=C(N1)COC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C10H10Cl2N2O/c11-8-2-1-7(5-9(8)12)15-6-10-13-3-4-14-10/h1-2,5H,3-4,6H2,(H,13,14)
InChIKey
FVHAONUKSUFJKN-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenoxy)methyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

369
Patents

244.01701 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.02429 149.8
[M+Na]+ 267.00623 159.3
[M-H]- 243.00973 151.6
[M+NH4]+ 262.05083 166.8
[M+K]+ 282.98017 153.1
[M+H-H2O]+ 227.01427 142.6
[M+HCOO]- 289.01521 160.8
[M+CH3COO]- 303.03086 161.4
[M+Na-2H]- 264.99168 153.0
[M]+ 244.01646 150.9
[M]- 244.01756 150.9
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