CID 3040754

3-acetyl-4-(4-fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-2(3h)-oxazolone hcl

Structural Information

Molecular Formula
C24H26FN3O4
SMILES
CC(=O)N1C(=C(OC1=O)CCN2CCN(CC2)C3=CC=CC=C3OC)C4=CC=C(C=C4)F
InChI
InChI=1S/C24H26FN3O4/c1-17(29)28-23(18-7-9-19(25)10-8-18)22(32-24(28)30)11-12-26-13-15-27(16-14-26)20-5-3-4-6-21(20)31-2/h3-10H,11-16H2,1-2H3
InChIKey
IKZYHKSKQYKFKQ-UHFFFAOYSA-N
Compound name
3-acetyl-4-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-oxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

439.19073 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.19801 207.2
[M+Na]+ 462.17995 214.0
[M-H]- 438.18345 215.3
[M+NH4]+ 457.22455 212.2
[M+K]+ 478.15389 209.1
[M+H-H2O]+ 422.18799 194.0
[M+HCOO]- 484.18893 220.9
[M+CH3COO]- 498.20458 229.7
[M+Na-2H]- 460.16540 202.9
[M]+ 439.19018 207.7
[M]- 439.19128 207.7
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.