CID 17122

2442-21-9

Structural Information

Molecular Formula
C20H12N2O2
SMILES
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3O2)C4=NC5=CC=CC=C5O4
InChI
InChI=1S/C20H12N2O2/c1-2-8-14(20-22-16-10-4-6-12-18(16)24-20)13(7-1)19-21-15-9-3-5-11-17(15)23-19/h1-12H
InChIKey
ASDNIIDZSQLDMR-UHFFFAOYSA-N
Compound name
2-[2-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1055
Patents

312.08987 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.09715 168.6
[M+Na]+ 335.07909 181.5
[M-H]- 311.08259 180.7
[M+NH4]+ 330.12369 183.3
[M+K]+ 351.05303 177.4
[M+H-H2O]+ 295.08713 160.3
[M+HCOO]- 357.08807 191.8
[M+CH3COO]- 371.10372 182.3
[M+Na-2H]- 333.06454 175.4
[M]+ 312.08932 175.2
[M]- 312.09042 175.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe