CID 32170

Articaine

Structural Information

Molecular Formula

C₁₃H₂₀N₂O₃S

SMILES

CCCNC(C)C(=O)NC1=C(SC=C1C)C(=O)OC

InChI

InChI=1S/C13H20N2O3S/c1-5-6-14-9(3)12(16)15-10-8(2)7-19-11(10)13(17)18-4/h7,9,14H,5-6H2,1-4H3,(H,15,16)

InChIKey

QTGIAADRBBLJGA-UHFFFAOYSA-N

Compound name

methyl 4-methyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 741
References: 9357
Patents: 284.11948 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	285.12676	168.6
[M+Na]+	307.10870	174.6
[M+NH4]+	302.15330	174.3
[M+K]+	323.08264	170.9
[M-H]-	283.11220	168.8
[M+Na-2H]-	305.09415	169.8
[M]+	284.11893	169.4
[M]-	284.12003	169.4

Literature stripe

literature stripe

Patent stripe

patents stripe