CID 3060094

1-piperidineacetamide, n-methyl-n-(p-(phenylthio)phenyl)-, oxalate

Structural Information

Molecular Formula
C20H24N2OS
SMILES
CN(C1=CC=C(C=C1)SC2=CC=CC=C2)C(=O)CN3CCCCC3
InChI
InChI=1S/C20H24N2OS/c1-21(20(23)16-22-14-6-3-7-15-22)17-10-12-19(13-11-17)24-18-8-4-2-5-9-18/h2,4-5,8-13H,3,6-7,14-16H2,1H3
InChIKey
QYVOIIMAGRIBJM-UHFFFAOYSA-N
Compound name
N-methyl-N-(4-phenylsulfanylphenyl)-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.16095 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.16823 180.6
[M+Na]+ 363.15017 183.3
[M-H]- 339.15367 188.5
[M+NH4]+ 358.19477 192.5
[M+K]+ 379.12411 178.7
[M+H-H2O]+ 323.15821 170.4
[M+HCOO]- 385.15915 194.6
[M+CH3COO]- 399.17480 189.3
[M+Na-2H]- 361.13562 180.6
[M]+ 340.16040 178.5
[M]- 340.16150 178.5
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.