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]+ 369.17214 188.3
[M+Na]+ 391.15408 195.1
[M-H]- 367.15758 193.4
[M+NH4]+ 386.19868 193.9
[M+K]+ 407.12802 188.4
[M+H-H2O]+ 351.16212 174.8
[M+HCOO]- 413.16306 201.1
[M+CH3COO]- 427.17871 196.0
[M+Na-2H]- 389.13953 187.8
[M]+ 368.16431 184.0
[M]- 368.16541 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.