CID 3040746

Brn 1170688

Structural Information

Molecular Formula
C21H22FN3O2
SMILES
C1CN(CCN1CCC2=C(NC(=O)O2)C3=CC=C(C=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C21H22FN3O2/c22-17-8-6-16(7-9-17)20-19(27-21(26)23-20)10-11-24-12-14-25(15-13-24)18-4-2-1-3-5-18/h1-9H,10-15H2,(H,23,26)
InChIKey
LSBZROOSVVDZOK-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-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

367.16962 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.17690 188.1
[M+Na]+ 390.15884 194.6
[M-H]- 366.16234 194.4
[M+NH4]+ 385.20344 195.2
[M+K]+ 406.13278 188.0
[M+H-H2O]+ 350.16688 175.4
[M+HCOO]- 412.16782 202.0
[M+CH3COO]- 426.18347 196.3
[M+Na-2H]- 388.14429 187.3
[M]+ 367.16907 183.7
[M]- 367.17017 183.7
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.