CID 721126

93075-61-7

Structural Information

Molecular Formula
C19H14N2O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)N
InChI
InChI=1S/C19H14N2O/c20-16-10-11-18-17(12-16)21-19(22-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,20H2
InChIKey
IANOMZFWVQGEPK-UHFFFAOYSA-N
Compound name
2-(4-phenylphenyl)-1,3-benzoxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

286.11063 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.117906 165.2
[M+Na]+ 309.099848 175.5
[M-H]- 285.103354 175.8
[M+NH4]+ 304.144453 180.3
[M+K]+ 325.073788 170.0
[M+H-H2O]+ 269.107890 156.2
[M+HCOO]- 331.108831 189.5
[M+CH3COO]- 345.124481 178.1
[M+Na-2H]- 307.085296 171.9
[M]+ 286.11008142 166.4
[M]- 286.11117858 166.4
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