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 218.6
[M+Na]+ 473.21996 229.5
[M-H]- 449.22346 230.5
[M+NH4]+ 468.26456 228.4
[M+K]+ 489.19390 224.4
[M+H-H2O]+ 433.22800 210.1
[M+HCOO]- 495.22894 235.0
[M+CH3COO]- 509.24459 228.7
[M+Na-2H]- 471.20541 220.6
[M]+ 450.23019 227.0
[M]- 450.23129 227.0
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