CID 3061575

1-(1,2-epoxy-2-(2-chlorophenyl)-2-(4-n-acetylpiperazinophenyl)ethyl)imidazole

Structural Information

Molecular Formula
C23H23ClN4O2
SMILES
CC(=O)N1CCN(CC1)C2=CC=C(C=C2)C3(C(O3)N4C=CN=C4)C5=CC=CC=C5Cl
InChI
InChI=1S/C23H23ClN4O2/c1-17(29)26-12-14-27(15-13-26)19-8-6-18(7-9-19)23(20-4-2-3-5-21(20)24)22(30-23)28-11-10-25-16-28/h2-11,16,22H,12-15H2,1H3
InChIKey
ZKHRSCMHFFXHQZ-UHFFFAOYSA-N
Compound name
1-[4-[4-[2-(2-chlorophenyl)-3-imidazol-1-yloxiran-2-yl]phenyl]piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

422.15094 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.15822 202.0
[M+Na]+ 445.14016 219.7
[M+NH4]+ 440.18476 210.8
[M+K]+ 461.11410 212.4
[M-H]- 421.14366 216.8
[M+Na-2H]- 443.12561 214.8
[M]+ 422.15039 210.4
[M]- 422.15149 210.4
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