CID 3063236

5-(5-methyl-2-furyl)-3-(2-(morpholino)ethyl)-1-phenyl-1h-pyrazoline hydrochloride

Structural Information

Molecular Formula
C20H25N3O2
SMILES
CC1=CC=C(O1)C2CC(=NN2C3=CC=CC=C3)CCN4CCOCC4
InChI
InChI=1S/C20H25N3O2/c1-16-7-8-20(25-16)19-15-17(9-10-22-11-13-24-14-12-22)21-23(19)18-5-3-2-4-6-18/h2-8,19H,9-15H2,1H3
InChIKey
AZECOIHTPFVOEO-UHFFFAOYSA-N
Compound name
4-[2-[3-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.19467 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.201946 181.3
[M+Na]+ 362.183888 186.4
[M-H]- 338.187394 190.6
[M+NH4]+ 357.228493 190.7
[M+K]+ 378.157828 183.7
[M+H-H2O]+ 322.191930 170.8
[M+HCOO]- 384.192871 196.5
[M+CH3COO]- 398.208521 190.7
[M+Na-2H]- 360.169336 179.1
[M]+ 339.19412142 179.7
[M]- 339.19521858 179.7
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.