CID 3050337

Brn 1668976

Structural Information

Molecular Formula
C21H31N3O5
SMILES
CNC(=O)NC1=C(C2=C(C(=C1OCCN3CCCCCCC3)OC)OC=C2)OC
InChI
InChI=1S/C21H31N3O5/c1-22-21(25)23-16-17(26-2)15-9-13-28-18(15)20(27-3)19(16)29-14-12-24-10-7-5-4-6-8-11-24/h9,13H,4-8,10-12,14H2,1-3H3,(H2,22,23,25)
InChIKey
LLLSULFNTQYVIA-UHFFFAOYSA-N
Compound name
1-[6-[2-(azocan-1-yl)ethoxy]-4,7-dimethoxy-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

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.23366 179.1
[M+Na]+ 428.21560 181.7
[M+NH4]+ 423.26020 180.6
[M+K]+ 444.18954 180.9
[M-H]- 404.21910 180.2
[M+Na-2H]- 426.20105 179.9
[M]+ 405.22583 179.6
[M]- 405.22693 179.6
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.