CID 3063107

N-(2-(n-methylbenzylamino)-1-methylethyl)-n-(2-thienyl)propionamide oxalate

Structural Information

Molecular Formula
C18H24N2OS
SMILES
CCC(=O)N(C1=CC=CS1)C(C)CN(C)CC2=CC=CC=C2
InChI
InChI=1S/C18H24N2OS/c1-4-17(21)20(18-11-8-12-22-18)15(2)13-19(3)14-16-9-6-5-7-10-16/h5-12,15H,4,13-14H2,1-3H3
InChIKey
HRDFDPONPYZVBS-UHFFFAOYSA-N
Compound name
N-[1-[benzyl(methyl)amino]propan-2-yl]-N-thiophen-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.16095 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.16823 179.9
[M+Na]+ 339.15017 183.2
[M-H]- 315.15367 188.6
[M+NH4]+ 334.19477 196.8
[M+K]+ 355.12411 181.4
[M+H-H2O]+ 299.15821 171.2
[M+HCOO]- 361.15915 199.7
[M+CH3COO]- 375.17480 216.3
[M+Na-2H]- 337.13562 177.7
[M]+ 316.16040 184.0
[M]- 316.16150 184.0
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.