CID 3058988

Brn 5159939

Structural Information

Molecular Formula
C21H31N3O5
SMILES
CC(C)OC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCCC3)NC(=O)NC
InChI
InChI=1S/C21H31N3O5/c1-14(2)29-17-15-8-12-27-18(15)20(26-4)19(16(17)23-21(25)22-3)28-13-11-24-9-6-5-7-10-24/h8,12,14H,5-7,9-11,13H2,1-4H3,(H2,22,23,25)
InChIKey
ZJDZHACGSFWEQE-UHFFFAOYSA-N
Compound name
1-[7-methoxy-6-(2-piperidin-1-ylethoxy)-4-propan-2-yloxy-1-benzofuran-5-yl]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

405.22638 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.23366 198.5
[M+Na]+ 428.21560 206.9
[M+NH4]+ 423.26020 203.3
[M+K]+ 444.18954 204.2
[M-H]- 404.21910 202.1
[M+Na-2H]- 426.20105 200.5
[M]+ 405.22583 200.3
[M]- 405.22693 200.3
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

No patent data available for this compound.