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]+ 380.19688 192.0
[M+Na]+ 402.17882 197.7
[M-H]- 378.18232 199.6
[M+NH4]+ 397.22342 198.5
[M+K]+ 418.15276 192.1
[M+H-H2O]+ 362.18686 179.9
[M+HCOO]- 424.18780 206.8
[M+CH3COO]- 438.20345 200.1
[M+Na-2H]- 400.16427 191.5
[M]+ 379.18905 190.2
[M]- 379.19015 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.