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]+ 298.19138 173.4
[M+Na]+ 320.17332 179.2
[M-H]- 296.17682 178.5
[M+NH4]+ 315.21792 185.9
[M+K]+ 336.14726 174.3
[M+H-H2O]+ 280.18136 162.7
[M+HCOO]- 342.18230 189.6
[M+CH3COO]- 356.19795 183.0
[M+Na-2H]- 318.15877 172.4
[M]+ 297.18355 170.4
[M]- 297.18465 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.