CID 3040817

3(2h)-oxazolecarboxamide, 4-(4-fluorophenyl)-n-methyl-2-oxo-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, monohydrochloride

Structural Information

Molecular Formula
C23H25FN4O3
SMILES
CNC(=O)N1C(=C(OC1=O)CCN2CCN(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H25FN4O3/c1-25-22(29)28-21(17-7-9-18(24)10-8-17)20(31-23(28)30)11-12-26-13-15-27(16-14-26)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,25,29)
InChIKey
QQJUJSXIRAXTGT-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-N-methyl-2-oxo-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

424.19107 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.19835 203.4
[M+Na]+ 447.18029 209.2
[M-H]- 423.18379 211.4
[M+NH4]+ 442.22489 208.7
[M+K]+ 463.15423 203.8
[M+H-H2O]+ 407.18833 190.2
[M+HCOO]- 469.18927 218.5
[M+CH3COO]- 483.20492 210.9
[M+Na-2H]- 445.16574 201.2
[M]+ 424.19052 201.2
[M]- 424.19162 201.2
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.