CID 3060090

Acetanilide, 2-(diethylamino)-n-methyl-4'-(phenylthio)-, oxalate, hydrate (4:4:1)

Structural Information

Molecular Formula
C19H24N2OS
SMILES
CCN(CC)CC(=O)N(C)C1=CC=C(C=C1)SC2=CC=CC=C2
InChI
InChI=1S/C19H24N2OS/c1-4-21(5-2)15-19(22)20(3)16-11-13-18(14-12-16)23-17-9-7-6-8-10-17/h6-14H,4-5,15H2,1-3H3
InChIKey
MWVGYFIOUBVQPR-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-methyl-N-(4-phenylsulfanylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.16095 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.16823 178.5
[M+Na]+ 351.15017 190.2
[M+NH4]+ 346.19477 187.0
[M+K]+ 367.12411 180.6
[M-H]- 327.15367 184.7
[M+Na-2H]- 349.13562 187.2
[M]+ 328.16040 182.4
[M]- 328.16150 182.4
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.