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

10
Patents

257.0623 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.06958 153.9
[M+Na]+ 280.05152 166.1
[M-H]- 256.05502 160.1
[M+NH4]+ 275.09612 171.8
[M+K]+ 296.02546 160.6
[M+H-H2O]+ 240.05956 146.5
[M+HCOO]- 302.06050 173.9
[M+CH3COO]- 316.07615 167.4
[M+Na-2H]- 278.03697 158.6
[M]+ 257.06175 158.3
[M]- 257.06285 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