CID 3058978

Brn 5184520

Structural Information

Molecular Formula
C24H29N3O5
SMILES
COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCCC3)NC(=O)NC4=CC=CC=C4
InChI
InChI=1S/C24H29N3O5/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/h3,5-6,9-11,15H,4,7-8,12-14,16H2,1-2H3,(H2,25,26,28)
InChIKey
HMAKCLNYDHJFPX-UHFFFAOYSA-N
Compound name
1-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

439.21072 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.21800 203.3
[M+Na]+ 462.19994 207.0
[M-H]- 438.20344 212.7
[M+NH4]+ 457.24454 211.4
[M+K]+ 478.17388 204.6
[M+H-H2O]+ 422.20798 192.5
[M+HCOO]- 484.20892 222.9
[M+CH3COO]- 498.22457 233.2
[M+Na-2H]- 460.18539 205.1
[M]+ 439.21017 206.7
[M]- 439.21127 206.7
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.