CID 216100

Fc 116

Structural Information

Molecular Formula
C17H22N2O2S
SMILES
CN(C)CCN(C)C(=O)C(C1=CC=CC=C1)(C2=CC=CS2)O
InChI
InChI=1S/C17H22N2O2S/c1-18(2)11-12-19(3)16(20)17(21,15-10-7-13-22-15)14-8-5-4-6-9-14/h4-10,13,21H,11-12H2,1-3H3
InChIKey
RSDCMHSFQIKXRU-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methyl-2-phenyl-2-thiophen-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.1402 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.14748 177.5
[M+Na]+ 341.12942 181.3
[M-H]- 317.13292 185.2
[M+NH4]+ 336.17402 193.7
[M+K]+ 357.10336 179.5
[M+H-H2O]+ 301.13746 169.8
[M+HCOO]- 363.13840 196.0
[M+CH3COO]- 377.15405 212.3
[M+Na-2H]- 339.11487 177.8
[M]+ 318.13965 181.0
[M]- 318.14075 181.0
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.