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]+ 329.168226 180.1
[M+Na]+ 351.150168 184.1
[M-H]- 327.153674 188.6
[M+NH4]+ 346.194773 194.9
[M+K]+ 367.124108 181.1
[M+H-H2O]+ 311.158210 170.7
[M+HCOO]- 373.159151 199.8
[M+CH3COO]- 387.174801 219.6
[M+Na-2H]- 349.135616 180.4
[M]+ 328.16040142 184.5
[M]- 328.16149858 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.