CID 88605

4,5-diphenyl-2-(4-(2-hydroxyethyl)-1-piperazinyl)oxazole hydrochloride

Structural Information

Molecular Formula
C21H23N3O2
SMILES
C1CN(CCN1CCO)C2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H23N3O2/c25-16-15-23-11-13-24(14-12-23)21-22-19(17-7-3-1-4-8-17)20(26-21)18-9-5-2-6-10-18/h1-10,25H,11-16H2
InChIKey
RNUTUTVLNSIPMO-UHFFFAOYSA-N
Compound name
2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.17902 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.18630 184.3
[M+Na]+ 372.16824 189.5
[M-H]- 348.17174 191.6
[M+NH4]+ 367.21284 191.9
[M+K]+ 388.14218 184.0
[M+H-H2O]+ 332.17628 172.3
[M+HCOO]- 394.17722 199.1
[M+CH3COO]- 408.19287 192.7
[M+Na-2H]- 370.15369 185.0
[M]+ 349.17847 181.0
[M]- 349.17957 181.0
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

No patent data available for this compound.