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 179.7
[M+Na]+ 346.18899 183.6
[M-H]- 322.19249 185.2
[M+NH4]+ 341.23359 193.3
[M+K]+ 362.16293 178.4
[M+H-H2O]+ 306.19703 168.9
[M+HCOO]- 368.19797 194.4
[M+CH3COO]- 382.21362 188.3
[M+Na-2H]- 344.17444 177.0
[M]+ 323.19922 175.2
[M]- 323.20032 175.2
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.