CID 3078392

2(3h)-oxazolone, 4-(4-methylphenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, (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]+ 364.201946 189.5
[M+Na]+ 386.183888 195.4
[M-H]- 362.187394 197.0
[M+NH4]+ 381.228493 196.8
[M+K]+ 402.157828 189.1
[M+H-H2O]+ 346.191930 177.6
[M+HCOO]- 408.192871 204.1
[M+CH3COO]- 422.208521 197.8
[M+Na-2H]- 384.169336 188.8
[M]+ 363.19412142 186.3
[M]- 363.19521858 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.