CID 216104

Fc 210

Structural Information

Molecular Formula
C19H26N2O2S
SMILES
CCN(CC)CCN(C)C(=O)C(C1=CC=CC=C1)(C2=CC=CS2)O
InChI
InChI=1S/C19H26N2O2S/c1-4-21(5-2)14-13-20(3)18(22)19(23,17-12-9-15-24-17)16-10-7-6-8-11-16/h6-12,15,23H,4-5,13-14H2,1-3H3
InChIKey
STMJNZDJRFKRGG-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)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

346.1715 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.17878 186.4
[M+Na]+ 369.16072 189.3
[M-H]- 345.16422 193.7
[M+NH4]+ 364.20532 201.5
[M+K]+ 385.13466 187.0
[M+H-H2O]+ 329.16876 178.3
[M+HCOO]- 391.16970 204.2
[M+CH3COO]- 405.18535 218.2
[M+Na-2H]- 367.14617 185.8
[M]+ 346.17095 190.5
[M]- 346.17205 190.5
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.