CID 9604838

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

Structural Information

Molecular Formula
C22H21Cl2N3O3
SMILES
CC1(OCC(O1)CO/N=C(\CN2C=CN=C2)/C3=CC=C(C=C3)Cl)C4=CC=CC=C4Cl
InChI
InChI=1S/C22H21Cl2N3O3/c1-22(19-4-2-3-5-20(19)24)28-13-18(30-22)14-29-26-21(12-27-11-10-25-15-27)16-6-8-17(23)9-7-16/h2-11,15,18H,12-14H2,1H3/b26-21+
InChIKey
HWCSLMPZMDPVDK-YYADALCUSA-N
Compound name
(Z)-1-(4-chlorophenyl)-N-[[2-(2-chlorophenyl)-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

445.096 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.10328 205.7
[M+Na]+ 468.08522 213.1
[M-H]- 444.08872 217.3
[M+NH4]+ 463.12982 215.7
[M+K]+ 484.05916 209.1
[M+H-H2O]+ 428.09326 195.4
[M+HCOO]- 490.09420 216.2
[M+CH3COO]- 504.10985 214.8
[M+Na-2H]- 466.07067 204.3
[M]+ 445.09545 212.0
[M]- 445.09655 212.0
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.