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]+ 295.144116 168.5
[M+Na]+ 317.126058 174.8
[M-H]- 293.129564 176.6
[M+NH4]+ 312.170663 181.5
[M+K]+ 333.099998 171.1
[M+H-H2O]+ 277.134100 159.6
[M+HCOO]- 339.135041 190.4
[M+CH3COO]- 353.150691 179.7
[M+Na-2H]- 315.111506 172.4
[M]+ 294.13629142 168.8
[M]- 294.13738858 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.