CID 72212652

2-chloro-5-methoxy-[1,3]thiazolo[5,4-b]pyridine

Structural Information

Molecular Formula
C7H5ClN2OS
SMILES
COC1=NC2=C(C=C1)N=C(S2)Cl
InChI
InChI=1S/C7H5ClN2OS/c1-11-5-3-2-4-6(10-5)12-7(8)9-4/h2-3H,1H3
InChIKey
OULPUEUXOWTDDC-UHFFFAOYSA-N
Compound name
2-chloro-5-methoxy-[1,3]thiazolo[5,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

199.98111 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.988386 134.5
[M+Na]+ 222.970328 148.4
[M-H]- 198.973834 138.0
[M+NH4]+ 218.014933 156.3
[M+K]+ 238.944268 144.2
[M+H-H2O]+ 182.978370 129.3
[M+HCOO]- 244.979311 149.8
[M+CH3COO]- 258.994961 149.6
[M+Na-2H]- 220.955776 140.1
[M]+ 199.98056142 142.2
[M]- 199.98165858 142.2
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