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]+ 200.98839 134.5
[M+Na]+ 222.97033 148.4
[M-H]- 198.97383 138.0
[M+NH4]+ 218.01493 156.3
[M+K]+ 238.94427 144.2
[M+H-H2O]+ 182.97837 129.3
[M+HCOO]- 244.97931 149.8
[M+CH3COO]- 258.99496 149.6
[M+Na-2H]- 220.95578 140.1
[M]+ 199.98056 142.2
[M]- 199.98166 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