CID 3063287

N-(1-methyl-2-(n-methylphenethylamino)ethyl)-n-(2-thienyl)propionamide oxalate

Structural Information

Molecular Formula
C19H26N2OS
SMILES
CCC(=O)N(C1=CC=CS1)C(C)CN(C)CCC2=CC=CC=C2
InChI
InChI=1S/C19H26N2OS/c1-4-18(22)21(19-11-8-14-23-19)16(2)15-20(3)13-12-17-9-6-5-7-10-17/h5-11,14,16H,4,12-13,15H2,1-3H3
InChIKey
HKMMDMBYFOZZHT-UHFFFAOYSA-N
Compound name
N-[1-[methyl(2-phenylethyl)amino]propan-2-yl]-N-thiophen-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.17657 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.18385 184.4
[M+Na]+ 353.16579 187.3
[M-H]- 329.16929 192.9
[M+NH4]+ 348.21039 200.7
[M+K]+ 369.13973 185.2
[M+H-H2O]+ 313.17383 175.5
[M+HCOO]- 375.17477 203.9
[M+CH3COO]- 389.19042 219.2
[M+Na-2H]- 351.15124 181.7
[M]+ 330.17602 188.9
[M]- 330.17712 188.9
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.