CID 3025439

102689-19-0

Structural Information

Molecular Formula
C17H23N3O
SMILES
CC1CC(C(CN1C)C)N2C(=O)CC(=N2)C3=CC=CC=C3
InChI
InChI=1S/C17H23N3O/c1-12-11-19(3)13(2)9-16(12)20-17(21)10-15(18-20)14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3
InChIKey
JREBIAFWXAAHMJ-UHFFFAOYSA-N
Compound name
5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1841 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.19138 170.8
[M+Na]+ 308.17332 178.2
[M-H]- 284.17682 176.4
[M+NH4]+ 303.21792 184.4
[M+K]+ 324.14726 173.2
[M+H-H2O]+ 268.18136 160.7
[M+HCOO]- 330.18230 186.9
[M+CH3COO]- 344.19795 181.1
[M+Na-2H]- 306.15877 169.0
[M]+ 285.18355 167.6
[M]- 285.18465 167.6
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.