CID 129318498

Articaine ep impurity d

Structural Information

Molecular Formula
C12H18N2O3S
SMILES
CCNC(C)C(=O)NC1=C(SC=C1C)C(=O)OC
InChI
InChI=1S/C12H18N2O3S/c1-5-13-8(3)11(15)14-9-7(2)6-18-10(9)12(16)17-4/h6,8,13H,5H2,1-4H3,(H,14,15)
InChIKey
YCSVHDYXLKWZPV-UHFFFAOYSA-N
Compound name
methyl 3-[2-(ethylamino)propanoylamino]-4-methylthiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

270.10382 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.11110 163.7
[M+Na]+ 293.09304 169.3
[M-H]- 269.09654 167.5
[M+NH4]+ 288.13764 181.8
[M+K]+ 309.06698 167.6
[M+H-H2O]+ 253.10108 157.1
[M+HCOO]- 315.10202 182.4
[M+CH3COO]- 329.11767 202.0
[M+Na-2H]- 291.07849 161.2
[M]+ 270.10327 167.6
[M]- 270.10437 167.6
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