CID 24804071

6-(6-methoxy-1,3-benzothiazol-2-yl)pyridin-3-amine hydrochloride

Structural Information

Molecular Formula
C13H11N3OS
SMILES
COC1=CC2=C(C=C1)N=C(S2)C3=NC=C(C=C3)N
InChI
InChI=1S/C13H11N3OS/c1-17-9-3-5-10-12(6-9)18-13(16-10)11-4-2-8(14)7-15-11/h2-7H,14H2,1H3
InChIKey
IQJIPTXMYLSVHV-UHFFFAOYSA-N
Compound name
6-(6-methoxy-1,3-benzothiazol-2-yl)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

257.0623 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.069576 153.9
[M+Na]+ 280.051518 166.1
[M-H]- 256.055024 160.1
[M+NH4]+ 275.096123 171.8
[M+K]+ 296.025458 160.6
[M+H-H2O]+ 240.059560 146.5
[M+HCOO]- 302.060501 173.9
[M+CH3COO]- 316.076151 167.4
[M+Na-2H]- 278.036966 158.6
[M]+ 257.06175142 158.3
[M]- 257.06284858 158.3
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

patents stripe