CID 6480796

4-(4-chlorophenyl)-3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-n-phenyl-thiazol-2-imine

Structural Information

Molecular Formula
C21H18ClN5O2S
SMILES
CC1=NC=C(N1CCN2C(=CSC2=NC3=CC=CC=C3)C4=CC=C(C=C4)Cl)[N+](=O)[O-]
InChI
InChI=1S/C21H18ClN5O2S/c1-15-23-13-20(27(28)29)25(15)11-12-26-19(16-7-9-17(22)10-8-16)14-30-21(26)24-18-5-3-2-4-6-18/h2-10,13-14H,11-12H2,1H3
InChIKey
UASHROXEEOCLGZ-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-3-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-N-phenyl-1,3-thiazol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

439.08698 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.09426 205.4
[M+Na]+ 462.07620 214.7
[M-H]- 438.07970 217.4
[M+NH4]+ 457.12080 215.1
[M+K]+ 478.05014 202.9
[M+H-H2O]+ 422.08424 199.2
[M+HCOO]- 484.08518 222.6
[M+CH3COO]- 498.10083 222.6
[M+Na-2H]- 460.06165 206.0
[M]+ 439.08643 210.6
[M]- 439.08753 210.6
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.