CID 3040758

Brn 1171632

Structural Information

Molecular Formula
C22H25N3O3
SMILES
COC1=CC=C(C=C1)C2=C(OC(=O)N2)CCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C22H25N3O3/c1-27-19-9-7-17(8-10-19)21-20(28-22(26)23-21)11-12-24-13-15-25(16-14-24)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,23,26)
InChIKey
WVUQDEGZHDBZOH-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,3-oxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

379.1896 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.196876 192.0
[M+Na]+ 402.178818 197.7
[M-H]- 378.182324 199.6
[M+NH4]+ 397.223423 198.5
[M+K]+ 418.152758 192.1
[M+H-H2O]+ 362.186860 179.9
[M+HCOO]- 424.187801 206.8
[M+CH3COO]- 438.203451 200.1
[M+Na-2H]- 400.164266 191.5
[M]+ 379.18905142 190.2
[M]- 379.19014858 190.2
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.