CID 4868360

5-(1,3-benzothiazol-2-yl)pyridin-2-amine

Structural Information

Molecular Formula
C12H9N3S
SMILES
C1=CC=C2C(=C1)N=C(S2)C3=CN=C(C=C3)N
InChI
InChI=1S/C12H9N3S/c13-11-6-5-8(7-14-11)12-15-9-3-1-2-4-10(9)16-12/h1-7H,(H2,13,14)
InChIKey
IOUXHHSEJFVUMU-UHFFFAOYSA-N
Compound name
5-(1,3-benzothiazol-2-yl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

7
Patents

227.05171 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.05899 145.4
[M+Na]+ 250.04093 157.4
[M-H]- 226.04443 151.4
[M+NH4]+ 245.08553 164.3
[M+K]+ 266.01487 151.6
[M+H-H2O]+ 210.04897 138.1
[M+HCOO]- 272.04991 165.6
[M+CH3COO]- 286.06556 159.1
[M+Na-2H]- 248.02638 151.2
[M]+ 227.05116 147.6
[M]- 227.05226 147.6
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