CID 5761588

5242-49-9

Structural Information

Molecular Formula
C29H20N2O2
SMILES
CC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)/C=C/C4=CC=C(C=C4)C5=NC6=CC=CC=C6O5
InChI
InChI=1S/C29H20N2O2/c1-19-6-17-27-25(18-19)31-29(33-27)23-15-11-21(12-16-23)8-7-20-9-13-22(14-10-20)28-30-24-4-2-3-5-26(24)32-28/h2-18H,1H3/b8-7+
InChIKey
SOTPOQQKAUOHRO-BQYQJAHWSA-N
Compound name
2-[4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-5-methyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

235
Patents

428.15247 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.15975 203.9
[M+Na]+ 451.14169 225.4
[M+NH4]+ 446.18629 212.9
[M+K]+ 467.11563 217.6
[M-H]- 427.14519 216.0
[M+Na-2H]- 449.12714 215.5
[M]+ 428.15192 211.0
[M]- 428.15302 211.0
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

patents stripe