CID 16315125

Dtxsid601367223

Structural Information

Molecular Formula
C23H24N4O4
SMILES
C1CC(CN(C1)CC(=O)N2C(CC(=N2)C3=CC4=CC=CC=C4O3)C5=CC=CO5)C(=O)N
InChI
InChI=1S/C23H24N4O4/c24-23(29)16-6-3-9-26(13-16)14-22(28)27-18(20-8-4-10-30-20)12-17(25-27)21-11-15-5-1-2-7-19(15)31-21/h1-2,4-5,7-8,10-11,16,18H,3,6,9,12-14H2,(H2,24,29)
InChIKey
GIAUZXRYCJMIFS-UHFFFAOYSA-N
Compound name
1-[2-[5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.17975 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.187026 196.3
[M+Na]+ 443.168968 201.4
[M-H]- 419.172474 207.9
[M+NH4]+ 438.213573 204.5
[M+K]+ 459.142908 199.3
[M+H-H2O]+ 403.177010 187.7
[M+HCOO]- 465.177951 211.8
[M+CH3COO]- 479.193601 205.1
[M+Na-2H]- 441.154416 190.9
[M]+ 420.17920142 196.3
[M]- 420.18029858 196.3
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.