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 187.6
[M+Na]+ 374.22027 192.7
[M-H]- 350.22377 196.4
[M+NH4]+ 369.26487 198.2
[M+K]+ 390.19421 188.0
[M+H-H2O]+ 334.22831 176.6
[M+HCOO]- 396.22925 203.0
[M+CH3COO]- 410.24490 196.6
[M+Na-2H]- 372.20572 183.3
[M]+ 351.23050 185.1
[M]- 351.23160 185.1
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.