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]+ 376.23833 196.5
[M+Na]+ 398.22027 202.7
[M-H]- 374.22377 204.7
[M+NH4]+ 393.26487 205.8
[M+K]+ 414.19421 195.4
[M+H-H2O]+ 358.22831 184.2
[M+HCOO]- 420.22925 211.2
[M+CH3COO]- 434.24490 204.8
[M+Na-2H]- 396.20572 192.2
[M]+ 375.23050 193.2
[M]- 375.23160 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.