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]+ 319.14412 177.1
[M+Na]+ 341.12606 191.8
[M-H]- 317.12956 186.8
[M+NH4]+ 336.17066 193.2
[M+K]+ 357.10000 187.4
[M+H-H2O]+ 301.13410 170.1
[M+HCOO]- 363.13504 199.3
[M+CH3COO]- 377.15069 191.0
[M+Na-2H]- 339.11151 180.0
[M]+ 318.13629 186.9
[M]- 318.13739 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.