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]+ 319.144116 170.8
[M+Na]+ 341.126058 180.6
[M-H]- 317.129564 181.6
[M+NH4]+ 336.170663 185.0
[M+K]+ 357.099998 176.8
[M+H-H2O]+ 301.134100 162.1
[M+HCOO]- 363.135041 189.8
[M+CH3COO]- 377.150691 182.9
[M+Na-2H]- 339.111506 174.7
[M]+ 318.13629142 173.1
[M]- 318.13738858 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.