CID 76964863

Methyl 3-[[2-(propylamino)acetyl]amino]-4-methylthiophene-2-carboxylate hydrochloride (acetamidoarticaine hydrochloride)

Structural Information

Molecular Formula
C12H18N2O3S
SMILES
CCCNCC(=O)NC1=C(SC=C1C)C(=O)OC
InChI
InChI=1S/C12H18N2O3S/c1-4-5-13-6-9(15)14-10-8(2)7-18-11(10)12(16)17-3/h7,13H,4-6H2,1-3H3,(H,14,15)
InChIKey
DSGKAUAFDAOGME-UHFFFAOYSA-N
Compound name
methyl 4-methyl-3-[[2-(propylamino)acetyl]amino]thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.10382 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.11110 164.3
[M+Na]+ 293.09304 170.9
[M+NH4]+ 288.13764 170.3
[M+K]+ 309.06698 166.5
[M-H]- 269.09654 164.7
[M+Na-2H]- 291.07849 166.1
[M]+ 270.10327 165.3
[M]- 270.10437 165.3
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.