CID 2764090

2-(methylsulfanyl)-[1,3]oxazolo[4,5-b]pyridine

Structural Information

Molecular Formula
C7H6N2OS
SMILES
CSC1=NC2=C(O1)C=CC=N2
InChI
InChI=1S/C7H6N2OS/c1-11-7-9-6-5(10-7)3-2-4-8-6/h2-4H,1H3
InChIKey
GAIIIUMBUSZYDH-UHFFFAOYSA-N
Compound name
2-methylsulfanyl-[1,3]oxazolo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

166.02008 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.02736 127.8
[M+Na]+ 189.00930 140.5
[M-H]- 165.01280 131.7
[M+NH4]+ 184.05390 148.7
[M+K]+ 204.98324 138.9
[M+H-H2O]+ 149.01734 122.0
[M+HCOO]- 211.01828 147.1
[M+CH3COO]- 225.03393 143.2
[M+Na-2H]- 186.99475 135.1
[M]+ 166.01953 133.8
[M]- 166.02063 133.8
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