CID 57457552

1174229-36-7

Structural Information

Molecular Formula
C6H5N3OS
SMILES
C1=CC(=O)NC2=C1N=C(S2)N
InChI
InChI=1S/C6H5N3OS/c7-6-8-3-1-2-4(10)9-5(3)11-6/h1-2H,(H2,7,8)(H,9,10)
InChIKey
PZEMHMGGMKMETA-UHFFFAOYSA-N
Compound name
2-amino-4H-[1,3]thiazolo[5,4-b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

167.01534 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.022616 127.8
[M+Na]+ 190.004558 140.5
[M-H]- 166.008064 129.6
[M+NH4]+ 185.049163 148.7
[M+K]+ 205.978498 135.9
[M+H-H2O]+ 150.012600 122.3
[M+HCOO]- 212.013541 147.2
[M+CH3COO]- 226.029191 142.2
[M+Na-2H]- 187.990006 133.7
[M]+ 167.01479142 129.2
[M]- 167.01588858 129.2
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