CID 491342

Chembl155240

Structural Information

Molecular Formula
C25H25N3O3
SMILES
CC1=C(OC2=C1C(=CC=C2)OCCCNCC3=CN=CC=C3)C(=O)NC4=CC=CC=C4
InChI
InChI=1S/C25H25N3O3/c1-18-23-21(30-15-7-14-27-17-19-8-6-13-26-16-19)11-5-12-22(23)31-24(18)25(29)28-20-9-3-2-4-10-20/h2-6,8-13,16,27H,7,14-15,17H2,1H3,(H,28,29)
InChIKey
STNDLVAMIAXTQH-UHFFFAOYSA-N
Compound name
3-methyl-N-phenyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

415.1896 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.19688 200.5
[M+Na]+ 438.17882 206.4
[M-H]- 414.18232 210.5
[M+NH4]+ 433.22342 209.7
[M+K]+ 454.15276 201.6
[M+H-H2O]+ 398.18686 189.5
[M+HCOO]- 460.18780 223.7
[M+CH3COO]- 474.20345 209.8
[M+Na-2H]- 436.16427 204.8
[M]+ 415.18905 205.2
[M]- 415.19015 205.2
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.