CID 3059679

76981-47-0

Structural Information

Molecular Formula
C21H23NO3
SMILES
CC(C(=O)N1CCCCC1)OC2=CC=CC(=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H23NO3/c1-16(21(24)22-13-6-3-7-14-22)25-19-12-8-11-18(15-19)20(23)17-9-4-2-5-10-17/h2,4-5,8-12,15-16H,3,6-7,13-14H2,1H3
InChIKey
QMNOZJIYDNZIST-UHFFFAOYSA-N
Compound name
2-(3-benzoylphenoxy)-1-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1678 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.17508 181.1
[M+Na]+ 360.15702 193.6
[M+NH4]+ 355.20162 188.2
[M+K]+ 376.13096 186.7
[M-H]- 336.16052 185.9
[M+Na-2H]- 358.14247 189.3
[M]+ 337.16725 184.1
[M]- 337.16835 184.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.