CID 63154669

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

Structural Information

Molecular Formula
C12H8BrN3S
SMILES
C1=CC2=C(C=C1Br)N=C(S2)C3=CC(=CN=C3)N
InChI
InChI=1S/C12H8BrN3S/c13-8-1-2-11-10(4-8)16-12(17-11)7-3-9(14)6-15-5-7/h1-6H,14H2
InChIKey
DALBQLZZVMSFJN-UHFFFAOYSA-N
Compound name
5-(5-bromo-1,3-benzothiazol-2-yl)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.96222 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.96950 149.3
[M+Na]+ 327.95144 165.0
[M-H]- 303.95494 158.2
[M+NH4]+ 322.99604 169.3
[M+K]+ 343.92538 151.5
[M+H-H2O]+ 287.95948 149.1
[M+HCOO]- 349.96042 167.6
[M+CH3COO]- 363.97607 164.9
[M+Na-2H]- 325.93689 156.2
[M]+ 304.96167 170.6
[M]- 304.96277 170.6
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

No patent data available for this compound.