CID 89345

4,5-diphenyl-2-((2-hydroxypropyl)amino)oxazole hydrochloride

Structural Information

Molecular Formula
C18H18N2O2
SMILES
CC(CNC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3)O
InChI
InChI=1S/C18H18N2O2/c1-13(21)12-19-18-20-16(14-8-4-2-5-9-14)17(22-18)15-10-6-3-7-11-15/h2-11,13,21H,12H2,1H3,(H,19,20)
InChIKey
UFSCSXGLRWEJSQ-UHFFFAOYSA-N
Compound name
1-[(4,5-diphenyl-1,3-oxazol-2-yl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.13684 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 168.5
[M+Na]+ 317.12606 174.8
[M-H]- 293.12956 176.6
[M+NH4]+ 312.17066 181.5
[M+K]+ 333.10000 171.1
[M+H-H2O]+ 277.13410 159.6
[M+HCOO]- 339.13504 190.4
[M+CH3COO]- 353.15069 179.7
[M+Na-2H]- 315.11151 172.4
[M]+ 294.13629 168.8
[M]- 294.13739 168.8
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.