CID 3067767

81975-10-2

Structural Information

Molecular Formula
C10H8INO3S
SMILES
CCN1C=C(C(=O)C2=C1C=C(S2)I)C(=O)O
InChI
InChI=1S/C10H8INO3S/c1-2-12-4-5(10(14)15)8(13)9-6(12)3-7(11)16-9/h3-4H,2H2,1H3,(H,14,15)
InChIKey
BHPPZVBYZPMYOK-UHFFFAOYSA-N
Compound name
4-ethyl-2-iodo-7-oxothieno[3,2-b]pyridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

348.92697 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.93425 163.4
[M+Na]+ 371.91619 168.2
[M+NH4]+ 366.96079 166.5
[M+K]+ 387.89013 165.7
[M-H]- 347.91969 157.7
[M+Na-2H]- 369.90164 154.3
[M]+ 348.92642 161.7
[M]- 348.92752 161.7
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

patents stripe