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

45
Patents

167.01534 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.02262 127.8
[M+Na]+ 190.00456 140.5
[M-H]- 166.00806 129.6
[M+NH4]+ 185.04916 148.7
[M+K]+ 205.97850 135.9
[M+H-H2O]+ 150.01260 122.3
[M+HCOO]- 212.01354 147.2
[M+CH3COO]- 226.02919 142.2
[M+Na-2H]- 187.99001 133.7
[M]+ 167.01479 129.2
[M]- 167.01589 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