CID 3078396

120944-30-1

Structural Information

Molecular Formula
C27H27N3O2
SMILES
C1CN(CCN1CCC2=C(NC(=O)O2)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C27H27N3O2/c31-27-28-26(23-13-11-22(12-14-23)21-7-3-1-4-8-21)25(32-27)15-16-29-17-19-30(20-18-29)24-9-5-2-6-10-24/h1-14H,15-20H2,(H,28,31)
InChIKey
GUDATKSZIXVHFV-UHFFFAOYSA-N
Compound name
4-(4-phenylphenyl)-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

425.21033 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.21761 207.1
[M+Na]+ 448.19955 224.0
[M+NH4]+ 443.24415 214.1
[M+K]+ 464.17349 216.0
[M-H]- 424.20305 217.0
[M+Na-2H]- 446.18500 218.2
[M]+ 425.20978 212.5
[M]- 425.21088 212.5
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.