CID 3078361

2(3h)-oxazolone, 4-(4-fluorophenyl)-5-(2-(4-(2-methylphenyl)-1-piperazinyl)ethyl)-, monohydrochloride

Structural Information

Molecular Formula
C22H24FN3O2
SMILES
CC1=CC=CC=C1N2CCN(CC2)CCC3=C(NC(=O)O3)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H24FN3O2/c1-16-4-2-3-5-19(16)26-14-12-25(13-15-26)11-10-20-21(24-22(27)28-20)17-6-8-18(23)9-7-17/h2-9H,10-15H2,1H3,(H,24,27)
InChIKey
TZXLAXVXRBCGTC-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-3H-1,3-oxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.18524 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.192516 193.5
[M+Na]+ 404.174458 200.4
[M-H]- 380.177964 200.0
[M+NH4]+ 399.219063 200.3
[M+K]+ 420.148398 193.6
[M+H-H2O]+ 364.182500 180.8
[M+HCOO]- 426.183441 207.0
[M+CH3COO]- 440.199091 201.5
[M+Na-2H]- 402.159906 191.4
[M]+ 381.18469142 189.8
[M]- 381.18578858 189.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.