CID 386789

Nsc679497

Structural Information

Molecular Formula
C24H28N4O2
SMILES
CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(CC(=N2)N3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C24H28N4O2/c1-18-10-12-20(13-11-18)25-23(29)17-24(30)28-21(19-8-4-2-5-9-19)16-22(26-28)27-14-6-3-7-15-27/h2,4-5,8-13,21H,3,6-7,14-17H2,1H3,(H,25,29)
InChIKey
GHMIHOYVFLHYTF-UHFFFAOYSA-N
Compound name
N-(4-methylphenyl)-3-oxo-3-(3-phenyl-5-piperidin-1-yl-3,4-dihydropyrazol-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.22122 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.228496 199.5
[M+Na]+ 427.210438 201.6
[M-H]- 403.213944 206.9
[M+NH4]+ 422.255043 206.2
[M+K]+ 443.184378 195.7
[M+H-H2O]+ 387.218480 186.8
[M+HCOO]- 449.219421 213.8
[M+CH3COO]- 463.235071 206.0
[M+Na-2H]- 425.195886 196.5
[M]+ 404.22067142 193.7
[M]- 404.22176858 193.7
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.