CID 88571

Brn 1006213

Structural Information

Molecular Formula
C17H16N2O2
SMILES
C1=CC=C(C=C1)C2=C(OC(=N2)NCCO)C3=CC=CC=C3
InChI
InChI=1S/C17H16N2O2/c20-12-11-18-17-19-15(13-7-3-1-4-8-13)16(21-17)14-9-5-2-6-10-14/h1-10,20H,11-12H2,(H,18,19)
InChIKey
QLQCGYKBQYMJFD-UHFFFAOYSA-N
Compound name
2-[(4,5-diphenyl-1,3-oxazol-2-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

280.1212 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.12848 163.2
[M+Na]+ 303.11042 170.3
[M-H]- 279.11392 171.3
[M+NH4]+ 298.15502 176.9
[M+K]+ 319.08436 166.2
[M+H-H2O]+ 263.11846 154.3
[M+HCOO]- 325.11940 186.5
[M+CH3COO]- 339.13505 175.0
[M+Na-2H]- 301.09587 168.8
[M]+ 280.12065 163.8
[M]- 280.12175 163.8
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

patents stripe