CID 3025286

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

Structural Information

Molecular Formula
C17H25N3O5
SMILES
CC(COC1=C(C2=C(C=CO2)C(=C1NC(=O)NC)OC)OC)N(C)C
InChI
InChI=1S/C17H25N3O5/c1-10(20(3)4)9-25-15-12(19-17(21)18-2)13(22-5)11-7-8-24-14(11)16(15)23-6/h7-8,10H,9H2,1-6H3,(H2,18,19,21)
InChIKey
DKMVNBLPSLEWRM-UHFFFAOYSA-N
Compound name
1-[6-[2-(dimethylamino)propoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.1794 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.18668 184.0
[M+Na]+ 374.16862 192.1
[M+NH4]+ 369.21322 188.9
[M+K]+ 390.14256 190.7
[M-H]- 350.17212 186.7
[M+Na-2H]- 372.15407 185.7
[M]+ 351.17885 185.5
[M]- 351.17995 185.5
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.