CID 24844292

102129-34-0

Structural Information

Molecular Formula
C22H29N3O
SMILES
CC1=CC=C(C=C1)N2C(CC(=N2)CCN3CCCCC3)C4=CC=C(O4)C
InChI
InChI=1S/C22H29N3O/c1-17-6-9-20(10-7-17)25-21(22-11-8-18(2)26-22)16-19(23-25)12-15-24-13-4-3-5-14-24/h6-11,21H,3-5,12-16H2,1-2H3
InChIKey
GJAXDICVDVMIEL-UHFFFAOYSA-N
Compound name
1-[2-[3-(5-methylfuran-2-yl)-2-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.23105 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.23833 188.2
[M+Na]+ 374.22027 201.5
[M+NH4]+ 369.26487 195.9
[M+K]+ 390.19421 197.2
[M-H]- 350.22377 195.7
[M+Na-2H]- 372.20572 195.5
[M]+ 351.23050 192.3
[M]- 351.23160 192.3
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.