CID 473069

6-(3-fluorobenzoyl)-3-[2-(1-piperidyl)ethyl]-1,3-benzoxazol-2-one

Structural Information

Molecular Formula
C21H21FN2O3
SMILES
C1CCN(CC1)CCN2C3=C(C=C(C=C3)C(=O)C4=CC(=CC=C4)F)OC2=O
InChI
InChI=1S/C21H21FN2O3/c22-17-6-4-5-15(13-17)20(25)16-7-8-18-19(14-16)27-21(26)24(18)12-11-23-9-2-1-3-10-23/h4-8,13-14H,1-3,9-12H2
InChIKey
JVCHVUXLOWHYJF-UHFFFAOYSA-N
Compound name
6-(3-fluorobenzoyl)-3-(2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.15363 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.160906 186.6
[M+Na]+ 391.142848 194.3
[M-H]- 367.146354 193.8
[M+NH4]+ 386.187453 197.0
[M+K]+ 407.116788 189.3
[M+H-H2O]+ 351.150890 175.3
[M+HCOO]- 413.151831 202.6
[M+CH3COO]- 427.167481 196.2
[M+Na-2H]- 389.128296 186.9
[M]+ 368.15308142 186.3
[M]- 368.15417858 186.3
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.