CID 59077

101911-99-3

Structural Information

Molecular Formula
C20H25NO3S
SMILES
CC(CN1CCCCC1)C(C2=CC=CS2)OC(=O)OC3=CC=CC=C3
InChI
InChI=1S/C20H25NO3S/c1-16(15-21-12-6-3-7-13-21)19(18-11-8-14-25-18)24-20(22)23-17-9-4-2-5-10-17/h2,4-5,8-11,14,16,19H,3,6-7,12-13,15H2,1H3
InChIKey
WHQRJCFQKTUCEN-UHFFFAOYSA-N
Compound name
(2-methyl-3-piperidin-1-yl-1-thiophen-2-ylpropyl) phenyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.15552 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.16280 183.9
[M+Na]+ 382.14474 193.5
[M+NH4]+ 377.18934 191.4
[M+K]+ 398.11868 187.2
[M-H]- 358.14824 188.0
[M+Na-2H]- 380.13019 190.4
[M]+ 359.15497 186.7
[M]- 359.15607 186.7
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.