CID 107622

Benzoxazole, 2,2'-(1,4-phenylenedi-2,1-ethenediyl)bis-

Structural Information

Molecular Formula
C24H16N2O2
SMILES
C1=CC=C2C(=C1)N=C(O2)C=CC3=CC=C(C=C3)C=CC4=NC5=CC=CC=C5O4
InChI
InChI=1S/C24H16N2O2/c1-3-7-21-19(5-1)25-23(27-21)15-13-17-9-11-18(12-10-17)14-16-24-26-20-6-2-4-8-22(20)28-24/h1-16H
InChIKey
ROOBECXHWOYDIL-UHFFFAOYSA-N
Compound name
2-[2-[4-[2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

364.1212 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.12848 186.9
[M+Na]+ 387.11042 198.7
[M-H]- 363.11392 198.4
[M+NH4]+ 382.15502 199.4
[M+K]+ 403.08436 192.6
[M+H-H2O]+ 347.11846 177.8
[M+HCOO]- 409.11940 209.0
[M+CH3COO]- 423.13505 198.9
[M+Na-2H]- 385.09587 191.3
[M]+ 364.12065 193.0
[M]- 364.12175 193.0
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