CID 3078392

4-(4-methylphenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-2(3h)-oxazolone (z)-2-butenedioate

Structural Information

Molecular Formula
C22H25N3O2
SMILES
CC1=CC=C(C=C1)C2=C(OC(=O)N2)CCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C22H25N3O2/c1-17-7-9-18(10-8-17)21-20(27-22(26)23-21)11-12-24-13-15-25(16-14-24)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,23,26)
InChIKey
GEIFSAKKUIODBO-UHFFFAOYSA-N
Compound name
4-(4-methylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,3-oxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.19467 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.20195 189.5
[M+Na]+ 386.18389 195.4
[M-H]- 362.18739 197.0
[M+NH4]+ 381.22849 196.8
[M+K]+ 402.15783 189.1
[M+H-H2O]+ 346.19193 177.6
[M+HCOO]- 408.19287 204.1
[M+CH3COO]- 422.20852 197.8
[M+Na-2H]- 384.16934 188.8
[M]+ 363.19412 186.3
[M]- 363.19522 186.3
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.