CID 3025287

Brn 5148227

Structural Information

Molecular Formula
C19H29N3O5
SMILES
CNC(=O)NC1=C(C2=C(C(=C1OCCN3CCCCC3)OC)OCC2)OC
InChI
InChI=1S/C19H29N3O5/c1-20-19(23)21-14-15(24-2)13-7-11-26-16(13)18(25-3)17(14)27-12-10-22-8-5-4-6-9-22/h4-12H2,1-3H3,(H2,20,21,23)
InChIKey
TVYUIAOBFBNPLB-UHFFFAOYSA-N
Compound name
1-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydro-1-benzofuran-5-yl]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

379.21072 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.21800 191.4
[M+Na]+ 402.19994 198.8
[M+NH4]+ 397.24454 196.6
[M+K]+ 418.17388 196.2
[M-H]- 378.20344 194.9
[M+Na-2H]- 400.18539 192.6
[M]+ 379.21017 192.9
[M]- 379.21127 192.9
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.