CID 58705

101670-59-1

Structural Information

Molecular Formula
C17H20N2O3S
SMILES
CN1CCC(CC1)OC(=O)C(C2=CC=CC=C2)(C3=CC=NS3)O
InChI
InChI=1S/C17H20N2O3S/c1-19-11-8-14(9-12-19)22-16(20)17(21,15-7-10-18-23-15)13-5-3-2-4-6-13/h2-7,10,14,21H,8-9,11-12H2,1H3
InChIKey
DUBGPZZEEYRMDD-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-hydroxy-2-phenyl-2-(1,2-thiazol-5-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.11948 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.126756 177.7
[M+Na]+ 355.108698 182.3
[M-H]- 331.112204 182.9
[M+NH4]+ 350.153303 189.7
[M+K]+ 371.082638 178.3
[M+H-H2O]+ 315.116740 169.3
[M+HCOO]- 377.117681 188.4
[M+CH3COO]- 391.133331 201.3
[M+Na-2H]- 353.094146 177.3
[M]+ 332.11893142 176.2
[M]- 332.12002858 176.2
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.