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]+ 369.16091 186.6
[M+Na]+ 391.14285 194.3
[M-H]- 367.14635 193.8
[M+NH4]+ 386.18745 197.0
[M+K]+ 407.11679 189.3
[M+H-H2O]+ 351.15089 175.3
[M+HCOO]- 413.15183 202.6
[M+CH3COO]- 427.16748 196.2
[M+Na-2H]- 389.12830 186.9
[M]+ 368.15308 186.3
[M]- 368.15418 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.