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[d]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]+ 324.207046 179.7
[M+Na]+ 346.188988 183.6
[M-H]- 322.192494 185.2
[M+NH4]+ 341.233593 193.3
[M+K]+ 362.162928 178.4
[M+H-H2O]+ 306.197030 168.9
[M+HCOO]- 368.197971 194.4
[M+CH3COO]- 382.213621 188.3
[M+Na-2H]- 344.174436 177.0
[M]+ 323.19922142 175.2
[M]- 323.20031858 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.