CID 122644519

5-hydroxy-2-(4-hydroxyphenyl)-n-methyl-4-(piperidin-1-ylmethyl)benzofuran-3-carboxamide

Structural Information

Molecular Formula
C22H24N2O4
SMILES
CNC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN3CCCCC3)C4=CC=C(C=C4)O
InChI
InChI=1S/C22H24N2O4/c1-23-22(27)20-19-16(13-24-11-3-2-4-12-24)17(26)9-10-18(19)28-21(20)14-5-7-15(25)8-6-14/h5-10,25-26H,2-4,11-13H2,1H3,(H,23,27)
InChIKey
PQGCMFVNJWTUFH-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

5
Patents

380.1736 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.18088 190.2
[M+Na]+ 403.16282 196.2
[M-H]- 379.16632 197.9
[M+NH4]+ 398.20742 200.3
[M+K]+ 419.13676 191.7
[M+H-H2O]+ 363.17086 181.2
[M+HCOO]- 425.17180 206.4
[M+CH3COO]- 439.18745 199.2
[M+Na-2H]- 401.14827 190.5
[M]+ 380.17305 189.3
[M]- 380.17415 189.3
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