CID 3034118

1552-47-2

Structural Information

Molecular Formula
C30H30N2O2
SMILES
CC(C)(C)C1=CC2=C(C=C1)OC(=N2)C=CC3=CC=C(C=C3)C4=NC5=C(O4)C=CC(=C5)C(C)(C)C
InChI
InChI=1S/C30H30N2O2/c1-29(2,3)21-12-14-25-23(17-21)31-27(33-25)16-9-19-7-10-20(11-8-19)28-32-24-18-22(30(4,5)6)13-15-26(24)34-28/h7-18H,1-6H3
InChIKey
XHNZHISSLFRVLB-UHFFFAOYSA-N
Compound name
5-tert-butyl-2-[4-[2-(5-tert-butyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

450.23074 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.23802 212.6
[M+Na]+ 473.21996 230.2
[M+NH4]+ 468.26456 220.0
[M+K]+ 489.19390 225.4
[M-H]- 449.22346 220.9
[M+Na-2H]- 471.20541 220.5
[M]+ 450.23019 218.1
[M]- 450.23129 218.1
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