CID 33745

Gyno-pevaril

Structural Information

Molecular Formula
C18H15Cl3N2O
SMILES
C1=CC(=CC=C1COC(CC2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C18H15Cl3N2O/c19-13-3-1-12(2-4-13)10-24-18(8-15-9-22-11-23-15)16-6-5-14(20)7-17(16)21/h1-7,9,11,15,18H,8,10H2
InChIKey
LDIUYZDMWMDLDX-UHFFFAOYSA-N
Compound name
4-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-4H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

576
References

15
Patents

380.025 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.03228 184.0
[M+Na]+ 403.01422 193.2
[M-H]- 379.01772 188.8
[M+NH4]+ 398.05882 196.0
[M+K]+ 418.98816 185.4
[M+H-H2O]+ 363.02226 174.4
[M+HCOO]- 425.02320 190.0
[M+CH3COO]- 439.03885 193.3
[M+Na-2H]- 400.99967 183.6
[M]+ 380.02445 189.0
[M]- 380.02555 189.0
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