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 170.8
[M+Na]+ 341.12606 180.6
[M-H]- 317.12956 181.6
[M+NH4]+ 336.17066 185.0
[M+K]+ 357.10000 176.8
[M+H-H2O]+ 301.13410 162.1
[M+HCOO]- 363.13504 189.8
[M+CH3COO]- 377.15069 182.9
[M+Na-2H]- 339.11151 174.7
[M]+ 318.13629 173.1
[M]- 318.13739 173.1
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.