CID 12856

716-80-3

Structural Information

Molecular Formula
C12H8N2S
SMILES
C1=CC=C2C(=C1)N=C(S2)C3=CC=CC=N3
InChI
InChI=1S/C12H8N2S/c1-2-7-11-9(5-1)14-12(15-11)10-6-3-4-8-13-10/h1-8H
InChIKey
XSWCYXIBEZMXMM-UHFFFAOYSA-N
Compound name
2-pyridin-2-yl-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

229
Patents

212.04082 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04810 141.6
[M+Na]+ 235.03004 153.8
[M-H]- 211.03354 147.9
[M+NH4]+ 230.07464 161.5
[M+K]+ 251.00398 148.6
[M+H-H2O]+ 195.03808 134.5
[M+HCOO]- 257.03902 161.6
[M+CH3COO]- 271.05467 155.9
[M+Na-2H]- 233.01549 148.3
[M]+ 212.04027 145.1
[M]- 212.04137 145.1
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