CID 366368

Nsc634744

Structural Information

Molecular Formula
C9H10N2OS
SMILES
CN1C=C(CC2=C1SC=C2)C(=O)N
InChI
InChI=1S/C9H10N2OS/c1-11-5-7(8(10)12)4-6-2-3-13-9(6)11/h2-3,5H,4H2,1H3,(H2,10,12)
InChIKey
VPQYBXPNUXSAFC-UHFFFAOYSA-N
Compound name
7-methyl-4H-thieno[2,3-b]pyridine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.05139 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.05867 139.4
[M+Na]+ 217.04061 148.6
[M-H]- 193.04411 142.7
[M+NH4]+ 212.08521 160.8
[M+K]+ 233.01455 145.4
[M+H-H2O]+ 177.04865 133.8
[M+HCOO]- 239.04959 156.5
[M+CH3COO]- 253.06524 183.9
[M+Na-2H]- 215.02606 141.3
[M]+ 194.05084 139.7
[M]- 194.05194 139.7
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

No patent data available for this compound.