CID 11266913

163521-20-8

Structural Information

Molecular Formula
C15H18N2O3
SMILES
CCOC(=O)C1=CC2=C(O1)C=CC(=C2)N3CCNCC3
InChI
InChI=1S/C15H18N2O3/c1-2-19-15(18)14-10-11-9-12(3-4-13(11)20-14)17-7-5-16-6-8-17/h3-4,9-10,16H,2,5-8H2,1H3
InChIKey
ZKLDXJIVWKPASZ-UHFFFAOYSA-N
Compound name
ethyl 5-piperazin-1-yl-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

274.13174 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.139016 162.2
[M+Na]+ 297.120958 168.9
[M-H]- 273.124464 166.1
[M+NH4]+ 292.165563 176.2
[M+K]+ 313.094898 166.0
[M+H-H2O]+ 257.129000 153.7
[M+HCOO]- 319.129941 178.6
[M+CH3COO]- 333.145591 172.9
[M+Na-2H]- 295.106406 165.5
[M]+ 274.13119142 161.7
[M]- 274.13228858 161.7
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

patents stripe