CID 3040745

Brn 6537086

Structural Information

Molecular Formula
C20H21FN4O2
SMILES
C1CN(CCN1CCC2=C(NC(=O)O2)C3=CC=C(C=C3)F)C4=CC=CC=N4
InChI
InChI=1S/C20H21FN4O2/c21-16-6-4-15(5-7-16)19-17(27-20(26)23-19)8-10-24-11-13-25(14-12-24)18-3-1-2-9-22-18/h1-7,9H,8,10-14H2,(H,23,26)
InChIKey
KNXBXDJMHVAISU-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3H-1,3-oxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.16486 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.172136 188.3
[M+Na]+ 391.154078 195.1
[M-H]- 367.157584 193.4
[M+NH4]+ 386.198683 193.9
[M+K]+ 407.128018 188.4
[M+H-H2O]+ 351.162120 174.8
[M+HCOO]- 413.163061 201.1
[M+CH3COO]- 427.178711 196.0
[M+Na-2H]- 389.139526 187.8
[M]+ 368.16431142 184.0
[M]- 368.16540858 184.0
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.