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 181.2
[M+Na]+ 355.14507 184.4
[M-H]- 331.14857 187.1
[M+NH4]+ 350.18967 196.2
[M+K]+ 371.11901 180.9
[M+H-H2O]+ 315.15311 173.3
[M+HCOO]- 377.15405 198.9
[M+CH3COO]- 391.16970 211.9
[M+Na-2H]- 353.13052 181.7
[M]+ 332.15530 183.7
[M]- 332.15640 183.7
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.