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]+ 315.152576 174.9
[M+Na]+ 337.134518 179.3
[M-H]- 313.138024 182.1
[M+NH4]+ 332.179123 189.7
[M+K]+ 353.108458 175.0
[M+H-H2O]+ 297.142560 166.0
[M+HCOO]- 359.143501 194.5
[M+CH3COO]- 373.159151 213.3
[M+Na-2H]- 335.119966 176.4
[M]+ 314.14475142 177.7
[M]- 314.14584858 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.