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 184.5
[M+Na]+ 374.16862 190.9
[M-H]- 350.17212 191.7
[M+NH4]+ 369.21322 199.3
[M+K]+ 390.14256 192.3
[M+H-H2O]+ 334.17666 176.7
[M+HCOO]- 396.17760 210.0
[M+CH3COO]- 410.19325 226.1
[M+Na-2H]- 372.15407 186.5
[M]+ 351.17885 194.3
[M]- 351.17995 194.3
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.