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 205.0
[M+Na]+ 448.19955 209.7
[M-H]- 424.20305 214.9
[M+NH4]+ 443.24415 208.8
[M+K]+ 464.17349 202.0
[M+H-H2O]+ 408.20759 191.3
[M+HCOO]- 470.20853 218.7
[M+CH3COO]- 484.22418 211.7
[M+Na-2H]- 446.18500 203.6
[M]+ 425.20978 200.4
[M]- 425.21088 200.4
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.