CID 3050347

Brn 5145007

Structural Information

Molecular Formula
C17H25N3O5
SMILES
CC(C)NCCOC1=C(C2=C(C=CO2)C(=C1NC(=O)NC)OC)OC
InChI
InChI=1S/C17H25N3O5/c1-10(2)19-7-9-25-15-12(20-17(21)18-3)13(22-4)11-6-8-24-14(11)16(15)23-5/h6,8,10,19H,7,9H2,1-5H3,(H2,18,20,21)
InChIKey
JXQXTXXOXJWURE-UHFFFAOYSA-N
Compound name
1-[4,7-dimethoxy-6-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-5-yl]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.1794 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.18668 183.5
[M+Na]+ 374.16862 189.7
[M-H]- 350.17212 189.2
[M+NH4]+ 369.21322 197.7
[M+K]+ 390.14256 189.8
[M+H-H2O]+ 334.17666 175.7
[M+HCOO]- 396.17760 208.5
[M+CH3COO]- 410.19325 222.9
[M+Na-2H]- 372.15407 186.4
[M]+ 351.17885 192.1
[M]- 351.17995 192.1
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.