CID 14249932

4-amino-7-methylthieno[2,3-c]pyridin-5-ol

Structural Information

Molecular Formula
C8H8N2OS
SMILES
CC1=C2C(=C(C(=O)N1)N)C=CS2
InChI
InChI=1S/C8H8N2OS/c1-4-7-5(2-3-12-7)6(9)8(11)10-4/h2-3H,9H2,1H3,(H,10,11)
InChIKey
FOWSNMAFJJYSCL-UHFFFAOYSA-N
Compound name
4-amino-7-methyl-6H-thieno[2,3-c]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

180.03574 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.043016 132.6
[M+Na]+ 203.024958 145.2
[M-H]- 179.028464 135.9
[M+NH4]+ 198.069563 154.6
[M+K]+ 218.998898 140.3
[M+H-H2O]+ 163.033000 127.7
[M+HCOO]- 225.033941 152.5
[M+CH3COO]- 239.049591 147.2
[M+Na-2H]- 201.010406 136.8
[M]+ 180.03519142 134.6
[M]- 180.03628858 134.6
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