CID 88578

20503-89-3

Structural Information

Molecular Formula
C22H23N3O3
SMILES
CCOC(=O)N1CCN(CC1)C2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H23N3O3/c1-2-27-22(26)25-15-13-24(14-16-25)21-23-19(17-9-5-3-6-10-17)20(28-21)18-11-7-4-8-12-18/h3-12H,2,13-16H2,1H3
InChIKey
ZJYIVGNBYBGBFS-UHFFFAOYSA-N
Compound name
ethyl 4-(4,5-diphenyl-1,3-oxazol-2-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

377.17395 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.18123 191.4
[M+Na]+ 400.16317 196.4
[M-H]- 376.16667 200.1
[M+NH4]+ 395.20777 198.4
[M+K]+ 416.13711 192.3
[M+H-H2O]+ 360.17121 179.0
[M+HCOO]- 422.17215 206.7
[M+CH3COO]- 436.18780 199.8
[M+Na-2H]- 398.14862 190.9
[M]+ 377.17340 190.1
[M]- 377.17450 190.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe