CID 16771598

5-(2-iodobenzamido)-3-methylthiophene-2-carboxylic acid

Structural Information

Molecular Formula
C13H10INO3S
SMILES
CC1=C(SC(=C1)NC(=O)C2=CC=CC=C2I)C(=O)O
InChI
InChI=1S/C13H10INO3S/c1-7-6-10(19-11(7)13(17)18)15-12(16)8-4-2-3-5-9(8)14/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKey
GTWWWZCTYNKQOO-UHFFFAOYSA-N
Compound name
5-[(2-iodobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.9426 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.94988 179.9
[M+Na]+ 409.93182 182.4
[M+NH4]+ 404.97642 182.4
[M+K]+ 425.90576 180.0
[M-H]- 385.93532 176.0
[M+Na-2H]- 407.91727 171.5
[M]+ 386.94205 178.2
[M]- 386.94315 178.2
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.