CID 210654

Poli 55

Structural Information

Molecular Formula
C20H25N3O
SMILES
C1CCN(CC1)CCC(=O)C2=NN(C3=C2CCC3)C4=CC=CC=C4
InChI
InChI=1S/C20H25N3O/c24-19(12-15-22-13-5-2-6-14-22)20-17-10-7-11-18(17)23(21-20)16-8-3-1-4-9-16/h1,3-4,8-9H,2,5-7,10-15H2
InChIKey
OPFLXVVQCZZLFE-UHFFFAOYSA-N
Compound name
1-(1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.19977 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.20705 180.0
[M+Na]+ 346.18899 191.2
[M+NH4]+ 341.23359 187.9
[M+K]+ 362.16293 187.2
[M-H]- 322.19249 184.0
[M+Na-2H]- 344.17444 185.7
[M]+ 323.19922 182.5
[M]- 323.20032 182.5
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.