CID 2727563

4337-60-4

Structural Information

Molecular Formula
C6H4N2OS
SMILES
C1=CC2=C(N=C1)SNC2=O
InChI
InChI=1S/C6H4N2OS/c9-5-4-2-1-3-7-6(4)10-8-5/h1-3H,(H,8,9)
InChIKey
BRYKHZDQKQRTDN-UHFFFAOYSA-N
Compound name
[1,2]thiazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

54
Patents

152.00444 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.01172 124.0
[M+Na]+ 174.99366 136.8
[M-H]- 150.99716 126.1
[M+NH4]+ 170.03826 145.9
[M+K]+ 190.96760 132.8
[M+H-H2O]+ 135.00170 118.6
[M+HCOO]- 197.00264 143.1
[M+CH3COO]- 211.01829 138.9
[M+Na-2H]- 172.97911 130.8
[M]+ 152.00389 126.7
[M]- 152.00499 126.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe