CID 3063967

101911-90-4

Structural Information

Molecular Formula
C19H23NO3S
SMILES
C1CCN(CC1)CCC(C2=CC=CS2)OC(=O)OC3=CC=CC=C3
InChI
InChI=1S/C19H23NO3S/c21-19(22-16-8-3-1-4-9-16)23-17(18-10-7-15-24-18)11-14-20-12-5-2-6-13-20/h1,3-4,7-10,15,17H,2,5-6,11-14H2
InChIKey
ZFAAYQPCFWSTOW-UHFFFAOYSA-N
Compound name
phenyl (3-piperidin-1-yl-1-thiophen-2-ylpropyl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.13986 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.147136 182.8
[M+Na]+ 368.129078 185.5
[M-H]- 344.132584 189.8
[M+NH4]+ 363.173683 196.0
[M+K]+ 384.103018 182.1
[M+H-H2O]+ 328.137120 173.9
[M+HCOO]- 390.138061 196.2
[M+CH3COO]- 404.153711 205.6
[M+Na-2H]- 366.114526 180.3
[M]+ 345.13931142 182.7
[M]- 345.14040858 182.7
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.