CID 11126879

2h-imidazo[4,5-b]pyridine-2-thione, 1,3-dihydro-5-methoxy-

Structural Information

Molecular Formula
C7H7N3OS
SMILES
COC1=NC2=C(C=C1)NC(=S)N2
InChI
InChI=1S/C7H7N3OS/c1-11-5-3-2-4-6(9-5)10-7(12)8-4/h2-3H,1H3,(H2,8,9,10,12)
InChIKey
PNYFSMIUARCIRR-UHFFFAOYSA-N
Compound name
5-methoxy-1,3-dihydroimidazo[4,5-b]pyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

46
Patents

181.03099 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.03827 133.5
[M+Na]+ 204.02021 146.3
[M-H]- 180.02371 133.0
[M+NH4]+ 199.06481 152.4
[M+K]+ 219.99415 141.0
[M+H-H2O]+ 164.02825 127.7
[M+HCOO]- 226.02919 149.4
[M+CH3COO]- 240.04484 146.9
[M+Na-2H]- 202.00566 138.5
[M]+ 181.03044 135.6
[M]- 181.03154 135.6
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