CID 3006729

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

Structural Information

Molecular Formula
C18H14N2S
SMILES
C1=CC=C(C=C1)C2(NC3=CC=CC=C3S2)C4=CC=CC=N4
InChI
InChI=1S/C18H14N2S/c1-2-8-14(9-3-1)18(17-12-6-7-13-19-17)20-15-10-4-5-11-16(15)21-18/h1-13,20H
InChIKey
BZIQGCBJBPCMJM-UHFFFAOYSA-N
Compound name
2-phenyl-2-pyridin-2-yl-3H-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.08777 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09505 165.2
[M+Na]+ 313.07699 174.5
[M-H]- 289.08049 172.1
[M+NH4]+ 308.12159 182.3
[M+K]+ 329.05093 167.1
[M+H-H2O]+ 273.08503 156.6
[M+HCOO]- 335.08597 180.3
[M+CH3COO]- 349.10162 176.4
[M+Na-2H]- 311.06244 169.9
[M]+ 290.08722 163.8
[M]- 290.08832 163.8
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.