CID 3033986

Democonazole

Structural Information

Molecular Formula
C19H15Cl3N2O2
SMILES
C1=CC(=CC=C1OCCO/C(=C/N2C=CN=C2)/C3=C(C=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C19H15Cl3N2O2/c20-14-1-4-16(5-2-14)25-9-10-26-19(12-24-8-7-23-13-24)17-6-3-15(21)11-18(17)22/h1-8,11-13H,9-10H2/b19-12+
InChIKey
ABVFVJRTKMVJMV-XDHOZWIPSA-N
Compound name
1-[(E)-2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

55
Patents

408.0199 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.027176 190.5
[M+Na]+ 431.009118 199.5
[M-H]- 407.012624 195.3
[M+NH4]+ 426.053723 201.3
[M+K]+ 446.983058 191.6
[M+H-H2O]+ 391.017160 180.8
[M+HCOO]- 453.018101 196.6
[M+CH3COO]- 467.033751 199.3
[M+Na-2H]- 428.994566 189.7
[M]+ 408.01935142 196.4
[M]- 408.02044858 196.4
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