CID 3078366

Brn 6545465

Structural Information

Molecular Formula
C22H21F4N3O2
SMILES
C1CN(CCN1CCC2=C(NC(=O)O2)C3=CC=C(C=C3)F)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C22H21F4N3O2/c23-17-6-4-15(5-7-17)20-19(31-21(30)27-20)8-9-28-10-12-29(13-11-28)18-3-1-2-16(14-18)22(24,25)26/h1-7,14H,8-13H2,(H,27,30)
InChIKey
AFYJBMPSMJLSLL-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3H-1,3-oxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

435.15698 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.16426 203.3
[M+Na]+ 458.14620 210.8
[M-H]- 434.14970 206.2
[M+NH4]+ 453.19080 207.9
[M+K]+ 474.12014 203.1
[M+H-H2O]+ 418.15424 188.4
[M+HCOO]- 480.15518 211.9
[M+CH3COO]- 494.17083 209.6
[M+Na-2H]- 456.13165 200.4
[M]+ 435.15643 196.0
[M]- 435.15753 196.0
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.