CID 16663275

Azd-2184

Structural Information

Molecular Formula
C13H11N3OS
SMILES
CNC1=NC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)O
InChI
InChI=1S/C13H11N3OS/c1-14-12-5-2-8(7-15-12)13-16-10-4-3-9(17)6-11(10)18-13/h2-7,17H,1H3,(H,14,15)
InChIKey
FYTAUNFPOYWHBC-UHFFFAOYSA-N
Compound name
2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

69
Patents

257.0623 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.069576 153.3
[M+Na]+ 280.051518 165.0
[M-H]- 256.055024 158.6
[M+NH4]+ 275.096123 170.7
[M+K]+ 296.025458 159.0
[M+H-H2O]+ 240.059560 146.1
[M+HCOO]- 302.060501 172.4
[M+CH3COO]- 316.076151 166.3
[M+Na-2H]- 278.036966 158.6
[M]+ 257.06175142 156.8
[M]- 257.06284858 156.8
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

patents stripe