CID 24844284

102129-29-3

Structural Information

Molecular Formula
C20H25N3O
SMILES
C1CCN(CC1)CCC2=NN(C(C2)C3=CC=CO3)C4=CC=CC=C4
InChI
InChI=1S/C20H25N3O/c1-3-8-18(9-4-1)23-19(20-10-7-15-24-20)16-17(21-23)11-14-22-12-5-2-6-13-22/h1,3-4,7-10,15,19H,2,5-6,11-14,16H2
InChIKey
CNIIEEGBXOUTGF-UHFFFAOYSA-N
Compound name
1-[2-[3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.19977 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.20705 179.4
[M+Na]+ 346.18899 192.4
[M+NH4]+ 341.23359 187.4
[M+K]+ 362.16293 188.0
[M-H]- 322.19249 186.7
[M+Na-2H]- 344.17444 187.6
[M]+ 323.19922 183.3
[M]- 323.20032 183.3
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.