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]+ 324.207046 177.3
[M+Na]+ 346.188988 181.4
[M-H]- 322.192494 185.5
[M+NH4]+ 341.233593 188.4
[M+K]+ 362.162928 177.2
[M+H-H2O]+ 306.197030 166.0
[M+HCOO]- 368.197971 193.3
[M+CH3COO]- 382.213621 186.4
[M+Na-2H]- 344.174436 175.5
[M]+ 323.19922142 173.3
[M]- 323.20031858 173.3
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.