CID 9604840

Ethanone, 2-(1h-imidazol-1-yl)-1-phenyl-, o-[[2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl]oxime, (1z)-

Structural Information

Molecular Formula
C22H22ClN3O3
SMILES
CC1(OCC(O1)CO/N=C(\CN2C=CN=C2)/C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H22ClN3O3/c1-22(18-7-9-19(23)10-8-18)27-14-20(29-22)15-28-25-21(13-26-12-11-24-16-26)17-5-3-2-4-6-17/h2-12,16,20H,13-15H2,1H3/b25-21+
InChIKey
RQRSWOPEWWYDFP-NJNXFGOHSA-N
Compound name
(Z)-N-[[2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-2-imidazol-1-yl-1-phenylethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.13498 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.14226 197.6
[M+Na]+ 434.12420 203.9
[M-H]- 410.12770 209.9
[M+NH4]+ 429.16880 208.3
[M+K]+ 450.09814 200.9
[M+H-H2O]+ 394.13224 187.2
[M+HCOO]- 456.13318 213.5
[M+CH3COO]- 470.14883 207.4
[M+Na-2H]- 432.10965 198.0
[M]+ 411.13443 202.3
[M]- 411.13553 202.3
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.