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]+ 319.180496 175.2
[M+Na]+ 341.162438 181.1
[M-H]- 317.165944 185.6
[M+NH4]+ 336.207043 188.2
[M+K]+ 357.136378 176.5
[M+H-H2O]+ 301.170480 165.1
[M+HCOO]- 363.171421 195.2
[M+CH3COO]- 377.187071 185.9
[M+Na-2H]- 339.147886 175.2
[M]+ 318.17267142 174.0
[M]- 318.17376858 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