CID 9604847

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

Structural Information

Molecular Formula
C24H20Cl4N6O3
SMILES
C1C(OC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)CO/N=C(\CN4C=CN=C4)/C5=C(C=C(C=C5)Cl)Cl
InChI
InChI=1S/C24H20Cl4N6O3/c25-16-1-3-19(21(27)7-16)23(9-33-6-5-29-14-33)32-36-11-18-10-35-24(37-18,12-34-15-30-13-31-34)20-4-2-17(26)8-22(20)28/h1-8,13-15,18H,9-12H2/b32-23+
InChIKey
RIGCXGULDUQUEE-AWSUPERCSA-N
Compound name
(Z)-1-(2,4-dichlorophenyl)-N-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]-2-imidazol-1-ylethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

580.0351 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.04238 225.5
[M+Na]+ 603.02432 233.4
[M-H]- 579.02782 233.9
[M+NH4]+ 598.06892 227.8
[M+K]+ 618.99826 229.8
[M+H-H2O]+ 563.03236 211.2
[M+HCOO]- 625.03330 223.0
[M+CH3COO]- 639.04895 230.6
[M+Na-2H]- 601.00977 218.4
[M]+ 580.03455 232.7
[M]- 580.03565 232.7
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.