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]+ 405.22850 199.5
[M+Na]+ 427.21044 201.6
[M-H]- 403.21394 206.9
[M+NH4]+ 422.25504 206.2
[M+K]+ 443.18438 195.7
[M+H-H2O]+ 387.21848 186.8
[M+HCOO]- 449.21942 213.8
[M+CH3COO]- 463.23507 206.0
[M+Na-2H]- 425.19589 196.5
[M]+ 404.22067 193.7
[M]- 404.22177 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.