CID 12595419

5-tert-butyl-2-(2-(4-(2-(5-tert-butylbenzoxazol-2-yl)vinyl)phenyl)vinyl)benzoxazole

Structural Information

Molecular Formula
C32H32N2O2
SMILES
CC(C1=CC2=C(OC(=N2)/C=C/C3=CC=C(C=C3)/C=C/C4=NC5=C(O4)C=CC(=C5)C(C)(C)C)C=C1)(C)C
InChI
InChI=1S/C32H32N2O2/c1-31(2,3)23-13-15-27-25(19-23)33-29(35-27)17-11-21-7-9-22(10-8-21)12-18-30-34-26-20-24(32(4,5)6)14-16-28(26)36-30/h7-20H,1-6H3/b17-11+,18-12+
InChIKey
UNGZKPWANFSGJU-JYFOCSDGSA-N
Compound name
5-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

476.24637 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.25365 220.6
[M+Na]+ 499.23559 237.9
[M+NH4]+ 494.28019 227.4
[M+K]+ 515.20953 232.5
[M-H]- 475.23909 228.6
[M+Na-2H]- 497.22104 227.9
[M]+ 476.24582 225.9
[M]- 476.24692 225.9
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

patents stripe