CID 381852

Nsc669019

Structural Information

Molecular Formula
C22H14N2O2
SMILES
C1CC2=C(C=CC(=C21)C3=NC4=CC=CC=C4O3)C5=NC6=CC=CC=C6O5
InChI
InChI=1S/C22H14N2O2/c1-3-7-19-17(5-1)23-21(25-19)15-11-12-16(14-10-9-13(14)15)22-24-18-6-2-4-8-20(18)26-22/h1-8,11-12H,9-10H2
InChIKey
POJGLWGZDKBSFN-UHFFFAOYSA-N
Compound name
2-[5-(1,3-benzoxazol-2-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.10553 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.11281 166.9
[M+Na]+ 361.09475 179.0
[M-H]- 337.09825 179.6
[M+NH4]+ 356.13935 175.8
[M+K]+ 377.06869 177.8
[M+H-H2O]+ 321.10279 154.4
[M+HCOO]- 383.10373 187.6
[M+CH3COO]- 397.11938 180.0
[M+Na-2H]- 359.08020 173.1
[M]+ 338.10498 182.5
[M]- 338.10608 182.5
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.