CID 2324946

2-(dibenzo[b,d]furan-2-yl)benzo[d]thiazole

Structural Information

Molecular Formula
C19H11NOS
SMILES
C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)C4=NC5=CC=CC=C5S4
InChI
InChI=1S/C19H11NOS/c1-3-7-16-13(5-1)14-11-12(9-10-17(14)21-16)19-20-15-6-2-4-8-18(15)22-19/h1-11H
InChIKey
AENWSVFEHGDKHT-UHFFFAOYSA-N
Compound name
2-dibenzofuran-2-yl-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.05612 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.06340 165.4
[M+Na]+ 324.04534 180.1
[M-H]- 300.04884 176.7
[M+NH4]+ 319.08994 186.0
[M+K]+ 340.01928 174.7
[M+H-H2O]+ 284.05338 160.0
[M+HCOO]- 346.05432 185.7
[M+CH3COO]- 360.06997 180.0
[M+Na-2H]- 322.03079 171.2
[M]+ 301.05557 173.7
[M]- 301.05667 173.7
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.