CID 386791

Nsc679499

Structural Information

Molecular Formula
C23H25ClN4O2
SMILES
C1CCN(CC1)C2=NN(C(C2)C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H25ClN4O2/c24-18-9-11-19(12-10-18)25-22(29)16-23(30)28-20(17-7-3-1-4-8-17)15-21(26-28)27-13-5-2-6-14-27/h1,3-4,7-12,20H,2,5-6,13-16H2,(H,25,29)
InChIKey
AOABVNZKJIMHHB-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-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

424.1666 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.17388 202.2
[M+Na]+ 447.15582 205.5
[M-H]- 423.15932 209.5
[M+NH4]+ 442.20042 209.0
[M+K]+ 463.12976 198.4
[M+H-H2O]+ 407.16386 189.7
[M+HCOO]- 469.16480 212.1
[M+CH3COO]- 483.18045 208.7
[M+Na-2H]- 445.14127 199.2
[M]+ 424.16605 198.4
[M]- 424.16715 198.4
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.