CID 3025284

N-(4,7-dimethoxy-6-(2-(diethylamino)propoxy)-5-benzofuranyl)-n'-methylurea

Structural Information

Molecular Formula
C19H29N3O5
SMILES
CCN(CC)C(C)COC1=C(C2=C(C=CO2)C(=C1NC(=O)NC)OC)OC
InChI
InChI=1S/C19H29N3O5/c1-7-22(8-2)12(3)11-27-17-14(21-19(23)20-4)15(24-5)13-9-10-26-16(13)18(17)25-6/h9-10,12H,7-8,11H2,1-6H3,(H2,20,21,23)
InChIKey
AREQEABBBHWNKW-UHFFFAOYSA-N
Compound name
1-[6-[2-(diethylamino)propoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.21072 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.21800 193.9
[M+Na]+ 402.19994 199.4
[M-H]- 378.20344 200.7
[M+NH4]+ 397.24454 207.5
[M+K]+ 418.17388 200.4
[M+H-H2O]+ 362.20798 185.7
[M+HCOO]- 424.20892 218.7
[M+CH3COO]- 438.22457 232.0
[M+Na-2H]- 400.18539 194.9
[M]+ 379.21017 204.4
[M]- 379.21127 204.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.