CID 3040751

Brn 1186618

Structural Information

Molecular Formula
C25H30FN3O2
SMILES
CCCCN1C(=C(OC1=O)CCN2CCN(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C25H30FN3O2/c1-2-3-14-29-24(20-9-11-21(26)12-10-20)23(31-25(29)30)13-15-27-16-18-28(19-17-27)22-7-5-4-6-8-22/h4-12H,2-3,13-19H2,1H3
InChIKey
SVODBGOHTOUHOZ-UHFFFAOYSA-N
Compound name
3-butyl-4-(4-fluorophenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

423.2322 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.23948 206.6
[M+Na]+ 446.22142 212.5
[M-H]- 422.22492 213.8
[M+NH4]+ 441.26602 212.3
[M+K]+ 462.19536 205.9
[M+H-H2O]+ 406.22946 192.9
[M+HCOO]- 468.23040 220.5
[M+CH3COO]- 482.24605 213.9
[M+Na-2H]- 444.20687 203.2
[M]+ 423.23165 205.5
[M]- 423.23275 205.5
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.