CID 24844286

102129-30-6

Structural Information

Molecular Formula
C21H27N3O
SMILES
CC1=CC=C(C=C1)N2C(CC(=N2)CCN3CCCCC3)C4=CC=CO4
InChI
InChI=1S/C21H27N3O/c1-17-7-9-19(10-8-17)24-20(21-6-5-15-25-21)16-18(22-24)11-14-23-12-3-2-4-13-23/h5-10,15,20H,2-4,11-14,16H2,1H3
InChIKey
CIAGPIOWFJJRHW-UHFFFAOYSA-N
Compound name
1-[2-[3-(furan-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

337.21542 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.22270 182.5
[M+Na]+ 360.20464 187.1
[M-H]- 336.20814 191.0
[M+NH4]+ 355.24924 193.4
[M+K]+ 376.17858 182.6
[M+H-H2O]+ 320.21268 171.3
[M+HCOO]- 382.21362 198.2
[M+CH3COO]- 396.22927 191.5
[M+Na-2H]- 358.19009 179.4
[M]+ 337.21487 179.3
[M]- 337.21597 179.3
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.