CID 3060329

Niosh/tm3530000

Structural Information

Molecular Formula
C20H30N2OS
SMILES
CC1(CC(CCS1)N(C2=CC=CC=C2)C(=O)CN3CCCCC3)C
InChI
InChI=1S/C20H30N2OS/c1-20(2)15-18(11-14-24-20)22(17-9-5-3-6-10-17)19(23)16-21-12-7-4-8-13-21/h3,5-6,9-10,18H,4,7-8,11-16H2,1-2H3
InChIKey
XUXAGPGQEDVMPH-UHFFFAOYSA-N
Compound name
N-(2,2-dimethylthian-4-yl)-N-phenyl-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.2079 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.21518 182.6
[M+Na]+ 369.19712 192.5
[M+NH4]+ 364.24172 192.7
[M+K]+ 385.17106 181.3
[M-H]- 345.20062 188.9
[M+Na-2H]- 367.18257 191.3
[M]+ 346.20735 186.3
[M]- 346.20845 186.3
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.