CID 17867

2866-43-5

Structural Information

Molecular Formula
C18H10N2O2S
SMILES
C1=CC=C2C(=C1)N=C(O2)C3=CC=C(S3)C4=NC5=CC=CC=C5O4
InChI
InChI=1S/C18H10N2O2S/c1-3-7-13-11(5-1)19-17(21-13)15-9-10-16(23-15)18-20-12-6-2-4-8-14(12)22-18/h1-10H
InChIKey
UGFSLKRMHPGLFU-UHFFFAOYSA-N
Compound name
2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

2590
Patents

318.0463 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.05358 165.4
[M+Na]+ 341.03552 183.5
[M+NH4]+ 336.08012 175.7
[M+K]+ 357.00946 178.9
[M-H]- 317.03902 174.7
[M+Na-2H]- 339.02097 174.7
[M]+ 318.04575 171.6
[M]- 318.04685 171.6
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