CID 2813334

Maybridge3_002733

Structural Information

Molecular Formula
C20H22N2O4S
SMILES
CCOC(=O)C1CCCN(C1)C(=O)C2=CSC(=N2)C3=CC4=C(C=C3)OCC4
InChI
InChI=1S/C20H22N2O4S/c1-2-25-20(24)15-4-3-8-22(11-15)19(23)16-12-27-18(21-16)14-5-6-17-13(10-14)7-9-26-17/h5-6,10,12,15H,2-4,7-9,11H2,1H3
InChIKey
PGGICYAIOOLWRL-UHFFFAOYSA-N
Compound name
ethyl 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

386.13004 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.137316 191.3
[M+Na]+ 409.119258 196.7
[M-H]- 385.122764 199.8
[M+NH4]+ 404.163863 203.6
[M+K]+ 425.093198 194.4
[M+H-H2O]+ 369.127300 184.0
[M+HCOO]- 431.128241 201.9
[M+CH3COO]- 445.143891 200.4
[M+Na-2H]- 407.104706 186.3
[M]+ 386.12949142 193.1
[M]- 386.13058858 193.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.