CID 85966

Einecs 240-297-6

Structural Information

Molecular Formula
C31H27NO
SMILES
CC(C)(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)C=CC4=CC=C(C=C4)C5=CC=CC=C5
InChI
InChI=1S/C31H27NO/c1-31(2,3)27-19-20-29-28(21-27)32-30(33-29)26-17-13-23(14-18-26)10-9-22-11-15-25(16-12-22)24-7-5-4-6-8-24/h4-21H,1-3H3
InChIKey
SZWQPAIKUHNUMM-UHFFFAOYSA-N
Compound name
5-tert-butyl-2-[4-[2-(4-phenylphenyl)ethenyl]phenyl]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

15
Patents

429.20926 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.21654 212.1
[M+Na]+ 452.19848 220.5
[M-H]- 428.20198 225.1
[M+NH4]+ 447.24308 221.4
[M+K]+ 468.17242 212.7
[M+H-H2O]+ 412.20652 200.8
[M+HCOO]- 474.20746 231.0
[M+CH3COO]- 488.22311 221.5
[M+Na-2H]- 450.18393 214.3
[M]+ 429.20871 214.6
[M]- 429.20981 214.6
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