CID 386790

Nsc679498

Structural Information

Molecular Formula
C24H28N4O3
SMILES
COC1=CC=C(C=C1)NC(=O)CC(=O)N2C(CC(=N2)N3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C24H28N4O3/c1-31-20-12-10-19(11-13-20)25-23(29)17-24(30)28-21(18-8-4-2-5-9-18)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
QJYYTKPLABDMRQ-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)-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

420.21616 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.22344 201.7
[M+Na]+ 443.20538 203.6
[M-H]- 419.20888 209.2
[M+NH4]+ 438.24998 207.7
[M+K]+ 459.17932 198.4
[M+H-H2O]+ 403.21342 188.9
[M+HCOO]- 465.21436 216.2
[M+CH3COO]- 479.23001 208.1
[M+Na-2H]- 441.19083 199.0
[M]+ 420.21561 197.3
[M]- 420.21671 197.3
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.