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 204.8
[M+Na]+ 445.14016 213.2
[M-H]- 421.14366 214.9
[M+NH4]+ 440.18476 207.0
[M+K]+ 461.11410 207.4
[M+H-H2O]+ 405.14820 192.4
[M+HCOO]- 467.14914 214.1
[M+CH3COO]- 481.16479 212.0
[M+Na-2H]- 443.12561 202.8
[M]+ 422.15039 206.5
[M]- 422.15149 206.5
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