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 180.1
[M+Na]+ 351.15017 184.1
[M-H]- 327.15367 188.6
[M+NH4]+ 346.19477 194.9
[M+K]+ 367.12411 181.1
[M+H-H2O]+ 311.15821 170.7
[M+HCOO]- 373.15915 199.8
[M+CH3COO]- 387.17480 219.6
[M+Na-2H]- 349.13562 180.4
[M]+ 328.16040 184.5
[M]- 328.16150 184.5
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.