CID 129318501

Articaine ep impurity f hcl

Structural Information

Molecular Formula
C15H25N3O2S
SMILES
CCCNC(C)C(=O)NC1=C(SC=C1C)C(=O)NCCC
InChI
InChI=1S/C15H25N3O2S/c1-5-7-16-11(4)14(19)18-12-10(3)9-21-13(12)15(20)17-8-6-2/h9,11,16H,5-8H2,1-4H3,(H,17,20)(H,18,19)
InChIKey
RVSDWBDOMFJQLJ-UHFFFAOYSA-N
Compound name
4-methyl-N-propyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.16675 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.17403 177.4
[M+Na]+ 334.15597 180.8
[M-H]- 310.15947 180.4
[M+NH4]+ 329.20057 193.4
[M+K]+ 350.12991 177.9
[M+H-H2O]+ 294.16401 169.7
[M+HCOO]- 356.16495 195.6
[M+CH3COO]- 370.18060 214.0
[M+Na-2H]- 332.14142 173.8
[M]+ 311.16620 180.0
[M]- 311.16730 180.0
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.