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]+ 406.23366 197.0
[M+Na]+ 428.21560 200.9
[M-H]- 404.21910 203.2
[M+NH4]+ 423.26020 207.3
[M+K]+ 444.18954 199.3
[M+H-H2O]+ 388.22364 187.5
[M+HCOO]- 450.22458 216.5
[M+CH3COO]- 464.24023 228.2
[M+Na-2H]- 426.20105 198.1
[M]+ 405.22583 202.1
[M]- 405.22693 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.