CID 208951

Bifeprunox

Structural Information

Molecular Formula
C24H23N3O2
SMILES
C1CN(CCN1CC2=CC(=CC=C2)C3=CC=CC=C3)C4=CC=CC5=C4OC(=O)N5
InChI
InChI=1S/C24H23N3O2/c28-24-25-21-10-5-11-22(23(21)29-24)27-14-12-26(13-15-27)17-18-6-4-9-20(16-18)19-7-2-1-3-8-19/h1-11,16H,12-15,17H2,(H,25,28)
InChIKey
CYGODHVAJQTCBG-UHFFFAOYSA-N
Compound name
7-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

70
References

4734
Patents

385.17902 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.18630 194.3
[M+Na]+ 408.16824 211.8
[M+NH4]+ 403.21284 202.0
[M+K]+ 424.14218 204.2
[M-H]- 384.17174 202.9
[M+Na-2H]- 406.15369 204.4
[M]+ 385.17847 199.4
[M]- 385.17957 199.4
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

patents stripe