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 184.1
[M+Na]+ 360.20464 186.6
[M-H]- 336.20814 188.5
[M+NH4]+ 355.24924 195.0
[M+K]+ 376.17858 180.7
[M+H-H2O]+ 320.21268 172.1
[M+HCOO]- 382.21362 195.9
[M+CH3COO]- 396.22927 191.3
[M+Na-2H]- 358.19009 182.8
[M]+ 337.21487 177.4
[M]- 337.21597 177.4
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.