CID 78410911

Dtxsid001176868

Structural Information

Molecular Formula
C32H26N2O2
SMILES
CCC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)C=CC4=CC=C(C=C4)C5=NC6=C(O5)C=CC(=C6)CC
InChI
InChI=1S/C32H26N2O2/c1-3-21-11-17-29-27(19-21)33-31(35-29)25-13-7-23(8-14-25)5-6-24-9-15-26(16-10-24)32-34-28-20-22(4-2)12-18-30(28)36-32/h5-20H,3-4H2,1-2H3
InChIKey
HKBGSSCSIKGLCB-UHFFFAOYSA-N
Compound name
5-ethyl-2-[4-[2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.19943 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.20671 220.8
[M+Na]+ 493.18865 232.0
[M-H]- 469.19215 235.3
[M+NH4]+ 488.23325 228.8
[M+K]+ 509.16259 224.8
[M+H-H2O]+ 453.19669 209.8
[M+HCOO]- 515.19763 240.5
[M+CH3COO]- 529.21328 230.5
[M+Na-2H]- 491.17410 220.0
[M]+ 470.19888 228.2
[M]- 470.19998 228.2
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

No patent data available for this compound.