CID 3058972

Brn 5164822

Structural Information

Molecular Formula
C21H31N3O5
SMILES
CCCNC(=O)NC1=C(C2=C(C(=C1OCCN3CCCCC3)OC)OC=C2)OC
InChI
InChI=1S/C21H31N3O5/c1-4-9-22-21(25)23-16-17(26-2)15-8-13-28-18(15)20(27-3)19(16)29-14-12-24-10-6-5-7-11-24/h8,13H,4-7,9-12,14H2,1-3H3,(H2,22,23,25)
InChIKey
RGXXAVZBCXSTTC-UHFFFAOYSA-N
Compound name
1-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]-3-propylurea
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]+ 406.233656 197.0
[M+Na]+ 428.215598 200.9
[M-H]- 404.219104 203.2
[M+NH4]+ 423.260203 207.3
[M+K]+ 444.189538 199.3
[M+H-H2O]+ 388.223640 187.5
[M+HCOO]- 450.224581 216.5
[M+CH3COO]- 464.240231 228.2
[M+Na-2H]- 426.201046 198.1
[M]+ 405.22583142 202.1
[M]- 405.22692858 202.1
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.