CID 3058977

75883-69-1

Structural Information

Molecular Formula
C24H35N3O5
SMILES
COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCCC3)NC(=O)NC4CCCCC4
InChI
InChI=1S/C24H35N3O5/c1-29-20-18-11-15-31-21(18)23(30-2)22(32-16-14-27-12-7-4-8-13-27)19(20)26-24(28)25-17-9-5-3-6-10-17/h11,15,17H,3-10,12-14,16H2,1-2H3,(H2,25,26,28)
InChIKey
BQATYPKXKBKZKL-UHFFFAOYSA-N
Compound name
1-cyclohexyl-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

445.25766 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.26494 205.1
[M+Na]+ 468.24688 205.8
[M-H]- 444.25038 213.1
[M+NH4]+ 463.29148 212.8
[M+K]+ 484.22082 203.8
[M+H-H2O]+ 428.25492 194.5
[M+HCOO]- 490.25586 220.4
[M+CH3COO]- 504.27151 234.4
[M+Na-2H]- 466.23233 204.2
[M]+ 445.25711 204.3
[M]- 445.25821 204.3
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.