CID 52284

73713-89-0

Structural Information

Molecular Formula
C20H18N2O2
SMILES
C1CCC(C(C1)C2=NC3=CC=CC=C3O2)C4=NC5=CC=CC=C5O4
InChI
InChI=1S/C20H18N2O2/c1-2-8-14(20-22-16-10-4-6-12-18(16)24-20)13(7-1)19-21-15-9-3-5-11-17(15)23-19/h3-6,9-14H,1-2,7-8H2
InChIKey
NPVQPJGYKUGIOZ-UHFFFAOYSA-N
Compound name
2-[2-(1,3-benzoxazol-2-yl)cyclohexyl]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.13684 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.14412 171.5
[M+Na]+ 341.12606 188.8
[M+NH4]+ 336.17066 181.2
[M+K]+ 357.10000 184.0
[M-H]- 317.12956 180.7
[M+Na-2H]- 339.11151 180.0
[M]+ 318.13629 176.9
[M]- 318.13739 176.9
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.