CID 112315

69847-48-9

Structural Information

Molecular Formula
C20H18N2O2
SMILES
CC1=CC(=C2C(=C1)N=C(O2)C=CC3=NC4=CC(=CC(=C4O3)C)C)C
InChI
InChI=1S/C20H18N2O2/c1-11-7-13(3)19-15(9-11)21-17(23-19)5-6-18-22-16-10-12(2)8-14(4)20(16)24-18/h5-10H,1-4H3
InChIKey
LOBMDLLFLLMJLG-UHFFFAOYSA-N
Compound name
2-[2-(5,7-dimethyl-1,3-benzoxazol-2-yl)ethenyl]-5,7-dimethyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

318.13684 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.144116 177.1
[M+Na]+ 341.126058 191.8
[M-H]- 317.129564 186.8
[M+NH4]+ 336.170663 193.2
[M+K]+ 357.099998 187.4
[M+H-H2O]+ 301.134100 170.1
[M+HCOO]- 363.135041 199.3
[M+CH3COO]- 377.150691 191.0
[M+Na-2H]- 339.111506 180.0
[M]+ 318.13629142 186.9
[M]- 318.13738858 186.9
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.