CID 3033988

Omoconazole

Structural Information

Molecular Formula
C20H17Cl3N2O2
SMILES
C/C(=C(\C1=C(C=C(C=C1)Cl)Cl)/OCCOC2=CC=C(C=C2)Cl)/N3C=CN=C3
InChI
InChI=1S/C20H17Cl3N2O2/c1-14(25-9-8-24-13-25)20(18-7-4-16(22)12-19(18)23)27-11-10-26-17-5-2-15(21)3-6-17/h2-9,12-13H,10-11H2,1H3/b20-14-
InChIKey
JMFOSJNGKJCTMJ-ZHZULCJRSA-N
Compound name
1-[(Z)-1-[2-(4-chlorophenoxy)ethoxy]-1-(2,4-dichlorophenyl)prop-1-en-2-yl]imidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

21
References

9293
Patents

422.03555 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.04283 193.7
[M+Na]+ 445.02477 202.0
[M-H]- 421.02827 198.6
[M+NH4]+ 440.06937 204.0
[M+K]+ 460.99871 194.4
[M+H-H2O]+ 405.03281 184.1
[M+HCOO]- 467.03375 198.6
[M+CH3COO]- 481.04940 202.1
[M+Na-2H]- 443.01022 191.5
[M]+ 422.03500 199.6
[M]- 422.03610 199.6
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