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]+ 319.147476 177.5
[M+Na]+ 341.129418 181.3
[M-H]- 317.132924 185.2
[M+NH4]+ 336.174023 193.7
[M+K]+ 357.103358 179.5
[M+H-H2O]+ 301.137460 169.8
[M+HCOO]- 363.138401 196.0
[M+CH3COO]- 377.154051 212.3
[M+Na-2H]- 339.114866 177.8
[M]+ 318.13965142 181.0
[M]- 318.14074858 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.