CID 216106

Fc 213

Structural Information

Molecular Formula
C18H24N2O2S
SMILES
CCN(CC)CCNC(=O)C(C1=CC=CC=C1)(C2=CC=CS2)O
InChI
InChI=1S/C18H24N2O2S/c1-3-20(4-2)13-12-19-17(21)18(22,16-11-8-14-23-16)15-9-6-5-7-10-15/h5-11,14,22H,3-4,12-13H2,1-2H3,(H,19,21)
InChIKey
MWJKMEVOOHWLTI-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-2-hydroxy-2-phenyl-2-thiophen-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.15585 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.16313 180.6
[M+Na]+ 355.14507 188.4
[M+NH4]+ 350.18967 187.6
[M+K]+ 371.11901 182.7
[M-H]- 331.14857 183.8
[M+Na-2H]- 353.13052 186.4
[M]+ 332.15530 182.9
[M]- 332.15640 182.9
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.