CID 3006730

2,2-bis(2-pyridyl)-3h-1,3-benzothiazole

Structural Information

Molecular Formula
C17H13N3S
SMILES
C1=CC=C2C(=C1)NC(S2)(C3=CC=CC=N3)C4=CC=CC=N4
InChI
InChI=1S/C17H13N3S/c1-2-8-14-13(7-1)20-17(21-14,15-9-3-5-11-18-15)16-10-4-6-12-19-16/h1-12,20H
InChIKey
LIUWWPIPELIOJK-UHFFFAOYSA-N
Compound name
2,2-dipyridin-2-yl-3H-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.083 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.09028 164.5
[M+Na]+ 314.07222 174.4
[M-H]- 290.07572 170.3
[M+NH4]+ 309.11682 180.3
[M+K]+ 330.04616 166.9
[M+H-H2O]+ 274.08026 155.3
[M+HCOO]- 336.08120 178.7
[M+CH3COO]- 350.09685 175.4
[M+Na-2H]- 312.05767 169.7
[M]+ 291.08245 163.3
[M]- 291.08355 163.3
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

No patent data available for this compound.