CID 3079324

Brn 4197372

Structural Information

Molecular Formula
C18H23N3O
SMILES
CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)N3CCCCC3
InChI
InChI=1S/C18H23N3O/c1-14-17(13-18(22)20-11-7-4-8-12-20)15(2)21(19-14)16-9-5-3-6-10-16/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3
InChIKey
QMXMCOOQRLKKOW-UHFFFAOYSA-N
Compound name
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-piperidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1841 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.191376 173.4
[M+Na]+ 320.173318 179.2
[M-H]- 296.176824 178.5
[M+NH4]+ 315.217923 185.9
[M+K]+ 336.147258 174.3
[M+H-H2O]+ 280.181360 162.7
[M+HCOO]- 342.182301 189.6
[M+CH3COO]- 356.197951 183.0
[M+Na-2H]- 318.158766 172.4
[M]+ 297.18355142 170.4
[M]- 297.18464858 170.4
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.