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]+ 346.14714 182.8
[M+Na]+ 368.12908 185.5
[M-H]- 344.13258 189.8
[M+NH4]+ 363.17368 196.0
[M+K]+ 384.10302 182.1
[M+H-H2O]+ 328.13712 173.9
[M+HCOO]- 390.13806 196.2
[M+CH3COO]- 404.15371 205.6
[M+Na-2H]- 366.11453 180.3
[M]+ 345.13931 182.7
[M]- 345.14041 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.