CID 9604835

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

Structural Information

Molecular Formula
C17H19Cl2N3O3
SMILES
CC1(OCC(O1)CO/N=C(\CN2C=CN=C2)/C3=C(C=C(C=C3)Cl)Cl)C
InChI
InChI=1S/C17H19Cl2N3O3/c1-17(2)23-9-13(25-17)10-24-21-16(8-22-6-5-20-11-22)14-4-3-12(18)7-15(14)19/h3-7,11,13H,8-10H2,1-2H3/b21-16+
InChIKey
SJBPCDVSQCQNDZ-LTGZKZEYSA-N
Compound name
(Z)-1-(2,4-dichlorophenyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-imidazol-1-ylethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.08035 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.08763 188.7
[M+Na]+ 406.06957 197.0
[M-H]- 382.07307 197.7
[M+NH4]+ 401.11417 201.9
[M+K]+ 422.04351 194.0
[M+H-H2O]+ 366.07761 180.4
[M+HCOO]- 428.07855 199.8
[M+CH3COO]- 442.09420 199.2
[M+Na-2H]- 404.05502 188.5
[M]+ 383.07980 195.6
[M]- 383.08090 195.6
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.