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]+ 352.186676 184.5
[M+Na]+ 374.168618 190.9
[M-H]- 350.172124 191.7
[M+NH4]+ 369.213223 199.3
[M+K]+ 390.142558 192.3
[M+H-H2O]+ 334.176660 176.7
[M+HCOO]- 396.177601 210.0
[M+CH3COO]- 410.193251 226.1
[M+Na-2H]- 372.154066 186.5
[M]+ 351.17885142 194.3
[M]- 351.17994858 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.