CID 214448

4,5-diphenyl-2-(2-(1-pyrrolidinyl)ethyl)oxazole monohydrochloride

Structural Information

Molecular Formula
C21H22N2O
SMILES
C1CCN(C1)CCC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H22N2O/c1-3-9-17(10-4-1)20-21(18-11-5-2-6-12-18)24-19(22-20)13-16-23-14-7-8-15-23/h1-6,9-12H,7-8,13-16H2
InChIKey
RMEZWWIPULYSJT-UHFFFAOYSA-N
Compound name
4,5-diphenyl-2-(2-pyrrolidin-1-ylethyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

318.17322 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.18050 175.2
[M+Na]+ 341.16244 181.1
[M-H]- 317.16594 185.6
[M+NH4]+ 336.20704 188.2
[M+K]+ 357.13638 176.5
[M+H-H2O]+ 301.17048 165.1
[M+HCOO]- 363.17142 195.2
[M+CH3COO]- 377.18707 185.9
[M+Na-2H]- 339.14789 175.2
[M]+ 318.17267 174.0
[M]- 318.17377 174.0
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