CID 210656

Poli 72

Structural Information

Molecular Formula
C21H27N3O
SMILES
C1CCN(CC1)CCC(=O)C2=NN(C3=C2CCCC3)C4=CC=CC=C4
InChI
InChI=1S/C21H27N3O/c25-20(13-16-23-14-7-2-8-15-23)21-18-11-5-6-12-19(18)24(22-21)17-9-3-1-4-10-17/h1,3-4,9-10H,2,5-8,11-16H2
InChIKey
NPBGKBCCRDEIEJ-UHFFFAOYSA-N
Compound name
1-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.21542 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.22270 185.0
[M+Na]+ 360.20464 197.1
[M+NH4]+ 355.24924 192.9
[M+K]+ 376.17858 190.5
[M-H]- 336.20814 189.6
[M+Na-2H]- 358.19009 191.2
[M]+ 337.21487 187.9
[M]- 337.21597 187.9
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.