CID 3050342

Brn 5161694

Structural Information

Molecular Formula
C20H29N3O5
SMILES
CNC(=O)NC1=C(C2=C(C(=C1OCCNC3CCCCC3)OC)OC=C2)OC
InChI
InChI=1S/C20H29N3O5/c1-21-20(24)23-15-16(25-2)14-9-11-27-17(14)19(26-3)18(15)28-12-10-22-13-7-5-4-6-8-13/h9,11,13,22H,4-8,10,12H2,1-3H3,(H2,21,23,24)
InChIKey
RGQNZHAGFVRYMC-UHFFFAOYSA-N
Compound name
1-[6-[2-(cyclohexylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

391.21072 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.21800 194.5
[M+Na]+ 414.19994 202.4
[M+NH4]+ 409.24454 199.9
[M+K]+ 430.17388 199.1
[M-H]- 390.20344 199.4
[M+Na-2H]- 412.18539 197.2
[M]+ 391.21017 196.5
[M]- 391.21127 196.5
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.