CID 3058974

Brn 5166516

Structural Information

Molecular Formula
C22H33N3O5
SMILES
CCCCNC(=O)NC1=C(C2=C(C(=C1OCCN3CCCCC3)OC)OC=C2)OC
InChI
InChI=1S/C22H33N3O5/c1-4-5-10-23-22(26)24-17-18(27-2)16-9-14-29-19(16)21(28-3)20(17)30-15-13-25-11-7-6-8-12-25/h9,14H,4-8,10-13,15H2,1-3H3,(H2,23,24,26)
InChIKey
OZROGTSJISKOTM-UHFFFAOYSA-N
Compound name
1-butyl-3-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

419.24203 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.24931 201.5
[M+Na]+ 442.23125 204.9
[M-H]- 418.23475 207.4
[M+NH4]+ 437.27585 211.1
[M+K]+ 458.20519 203.1
[M+H-H2O]+ 402.23929 191.7
[M+HCOO]- 464.24023 220.6
[M+CH3COO]- 478.25588 231.1
[M+Na-2H]- 440.21670 202.1
[M]+ 419.24148 206.8
[M]- 419.24258 206.8
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.