CID 9604845

1-(2,4-dichlorophenyl)-n-[[2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-2-imidazol-1-yl-ethanimine

Structural Information

Molecular Formula
C22H19Cl4N3O3
SMILES
CC1(OCC(O1)CO/N=C(\CN2C=CN=C2)/C3=C(C=C(C=C3)Cl)Cl)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C22H19Cl4N3O3/c1-22(18-5-3-15(24)9-20(18)26)30-11-16(32-22)12-31-28-21(10-29-7-6-27-13-29)17-4-2-14(23)8-19(17)25/h2-9,13,16H,10-12H2,1H3/b28-21+
InChIKey
OBDDCVIIEQMFBU-SGWCAAJKSA-N
Compound name
(Z)-1-(2,4-dichlorophenyl)-N-[[2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-2-imidazol-1-ylethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

513.01807 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.02535 218.7
[M+Na]+ 536.00729 226.8
[M-H]- 512.01079 227.2
[M+NH4]+ 531.05189 226.4
[M+K]+ 551.98123 222.5
[M+H-H2O]+ 496.01533 208.8
[M+HCOO]- 558.01627 217.9
[M+CH3COO]- 572.03192 225.4
[M+Na-2H]- 533.99274 213.5
[M]+ 513.01752 225.0
[M]- 513.01862 225.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.