CID 59075

101911-98-2

Structural Information

Molecular Formula
C17H21NO3S
SMILES
CC(CN(C)C)C(C1=CC=CS1)OC(=O)OC2=CC=CC=C2
InChI
InChI=1S/C17H21NO3S/c1-13(12-18(2)3)16(15-10-7-11-22-15)21-17(19)20-14-8-5-4-6-9-14/h4-11,13,16H,12H2,1-3H3
InChIKey
MVXPBUAFRHDNGT-UHFFFAOYSA-N
Compound name
[3-(dimethylamino)-2-methyl-1-thiophen-2-ylpropyl] phenyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.1242 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.13148 174.6
[M+Na]+ 342.11342 183.7
[M+NH4]+ 337.15802 182.1
[M+K]+ 358.08736 178.4
[M-H]- 318.11692 177.9
[M+Na-2H]- 340.09887 180.5
[M]+ 319.12365 177.1
[M]- 319.12475 177.1
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.