CID 53730

77711-55-8

Structural Information

Molecular Formula
C18H22N2OS
SMILES
CCN(CC)CC(=O)NC1=CC=C(C=C1)SC2=CC=CC=C2
InChI
InChI=1S/C18H22N2OS/c1-3-20(4-2)14-18(21)19-15-10-12-17(13-11-15)22-16-8-6-5-7-9-16/h5-13H,3-4,14H2,1-2H3,(H,19,21)
InChIKey
FIYPHPXOBJSCJJ-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-(4-phenylsulfanylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1453 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.15258 174.9
[M+Na]+ 337.13452 179.3
[M-H]- 313.13802 182.1
[M+NH4]+ 332.17912 189.7
[M+K]+ 353.10846 175.0
[M+H-H2O]+ 297.14256 166.0
[M+HCOO]- 359.14350 194.5
[M+CH3COO]- 373.15915 213.3
[M+Na-2H]- 335.11997 176.4
[M]+ 314.14475 177.7
[M]- 314.14585 177.7
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.