CID 165880068

2-bromo-5,6,7-trimethyl-[1,3]thiazolo[4,5-b]pyridine

Structural Information

Molecular Formula
C9H9BrN2S
SMILES
CC1=C(C2=C(N=C1C)N=C(S2)Br)C
InChI
InChI=1S/C9H9BrN2S/c1-4-5(2)7-8(11-6(4)3)12-9(10)13-7/h1-3H3
InChIKey
LAUIYZXVPRBMCT-UHFFFAOYSA-N
Compound name
2-bromo-5,6,7-trimethyl-[1,3]thiazolo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.96698 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.97426 136.9
[M+Na]+ 278.95620 154.5
[M-H]- 254.95970 143.8
[M+NH4]+ 274.00080 160.2
[M+K]+ 294.93014 142.5
[M+H-H2O]+ 238.96424 138.1
[M+HCOO]- 300.96518 154.3
[M+CH3COO]- 314.98083 154.1
[M+Na-2H]- 276.94165 142.7
[M]+ 255.96643 161.5
[M]- 255.96753 161.5
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.