CID 6480804

(5z)-5-[(4-chlorophenyl)methylene]-3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-2-phenyl-imidazol-4-one

Structural Information

Molecular Formula
C22H18ClN5O3
SMILES
CC1=NC=C(N1CCN2C(=N/C(=C\C3=CC=C(C=C3)Cl)/C2=O)C4=CC=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C22H18ClN5O3/c1-15-24-14-20(28(30)31)26(15)11-12-27-21(17-5-3-2-4-6-17)25-19(22(27)29)13-16-7-9-18(23)10-8-16/h2-10,13-14H,11-12H2,1H3/b19-13-
InChIKey
ALYDKPOBGVFKJY-UYRXBGFRSA-N
Compound name
(5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-2-phenylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

435.1098 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.11708 206.5
[M+Na]+ 458.09902 213.9
[M-H]- 434.10252 215.0
[M+NH4]+ 453.14362 213.4
[M+K]+ 474.07296 202.0
[M+H-H2O]+ 418.10706 198.7
[M+HCOO]- 480.10800 221.6
[M+CH3COO]- 494.12365 220.5
[M+Na-2H]- 456.08447 205.5
[M]+ 435.10925 207.5
[M]- 435.11035 207.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.