CID 9604837

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

Structural Information

Molecular Formula
C17H20ClN3O3
SMILES
CC1(OCC(O1)CO/N=C(\CN2C=CN=C2)/C3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C17H20ClN3O3/c1-17(2)22-10-15(24-17)11-23-20-16(9-21-8-7-19-12-21)13-3-5-14(18)6-4-13/h3-8,12,15H,9-11H2,1-2H3/b20-16+
InChIKey
LXOYOVICUPLERX-CAPFRKAQSA-N
Compound name
(Z)-1-(4-chlorophenyl)-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

349.11932 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.12660 181.0
[M+Na]+ 372.10854 188.3
[M-H]- 348.11204 190.6
[M+NH4]+ 367.15314 195.0
[M+K]+ 388.08248 186.5
[M+H-H2O]+ 332.11658 172.5
[M+HCOO]- 394.11752 197.5
[M+CH3COO]- 408.13317 211.4
[M+Na-2H]- 370.09399 182.4
[M]+ 349.11877 186.6
[M]- 349.11987 186.6
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.