CID 205699

Oxazole, 4,5-diphenyl-2-(1-pyrrolidinyl)-

Structural Information

Molecular Formula
C19H18N2O
SMILES
C1CCN(C1)C2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C19H18N2O/c1-3-9-15(10-4-1)17-18(16-11-5-2-6-12-16)22-19(20-17)21-13-7-8-14-21/h1-6,9-12H,7-8,13-14H2
InChIKey
POWXJOMDSQMVOK-UHFFFAOYSA-N
Compound name
4,5-diphenyl-2-pyrrolidin-1-yl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

290.1419 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.149176 166.2
[M+Na]+ 313.131118 173.0
[M-H]- 289.134624 177.0
[M+NH4]+ 308.175723 180.4
[M+K]+ 329.105058 168.9
[M+H-H2O]+ 273.139160 156.5
[M+HCOO]- 335.140101 187.0
[M+CH3COO]- 349.155751 177.8
[M+Na-2H]- 311.116566 167.3
[M]+ 290.14135142 164.4
[M]- 290.14244858 164.4
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