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

35
Patents

286.11063 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.11791 165.2
[M+Na]+ 309.09985 175.5
[M-H]- 285.10335 175.8
[M+NH4]+ 304.14445 180.3
[M+K]+ 325.07379 170.0
[M+H-H2O]+ 269.10789 156.2
[M+HCOO]- 331.10883 189.5
[M+CH3COO]- 345.12448 178.1
[M+Na-2H]- 307.08530 171.9
[M]+ 286.11008 166.4
[M]- 286.11118 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