CID 3025440

102689-20-3

Structural Information

Molecular Formula
C24H29N3O
SMILES
CC1CC(C(CN1C)C)N2C(=O)C(C(=N2)C3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C24H29N3O/c1-17-16-26(3)18(2)14-22(17)27-24(28)21(15-19-10-6-4-7-11-19)23(25-27)20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3
InChIKey
DWQLEFWPQKQLLI-UHFFFAOYSA-N
Compound name
4-benzyl-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

375.23105 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.238326 196.5
[M+Na]+ 398.220268 202.7
[M-H]- 374.223774 204.7
[M+NH4]+ 393.264873 205.8
[M+K]+ 414.194208 195.4
[M+H-H2O]+ 358.228310 184.2
[M+HCOO]- 420.229251 211.2
[M+CH3COO]- 434.244901 204.8
[M+Na-2H]- 396.205716 192.2
[M]+ 375.23050142 193.2
[M]- 375.23159858 193.2
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.