CID 25003715

Imidazole derivative 2

Structural Information

Molecular Formula
C24H22BrCl2N3O
SMILES
CCC1=C(N=C(N1C2=CC=C(C=C2)Br)C3=C(C=C(C=C3)Cl)Cl)C4=NC=C(O4)C(C)(C)C
InChI
InChI=1S/C24H22BrCl2N3O/c1-5-19-21(23-28-13-20(31-23)24(2,3)4)29-22(17-11-8-15(26)12-18(17)27)30(19)16-9-6-14(25)7-10-16/h6-13H,5H2,1-4H3
InChIKey
PLHFPYNOQHOWQO-UHFFFAOYSA-N
Compound name
2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-5-tert-butyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

517.03235 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.03963 216.9
[M+Na]+ 540.02157 232.5
[M-H]- 516.02507 229.7
[M+NH4]+ 535.06617 228.0
[M+K]+ 555.99551 218.4
[M+H-H2O]+ 500.02961 213.9
[M+HCOO]- 562.03055 225.1
[M+CH3COO]- 576.04620 228.4
[M+Na-2H]- 538.00702 215.1
[M]+ 517.03180 243.6
[M]- 517.03290 243.6
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

patents stripe