CID 3050341

Brn 5137432

Structural Information

Molecular Formula
C15H21N3O5
SMILES
CNCCOC1=C(C2=C(C=CO2)C(=C1NC(=O)NC)OC)OC
InChI
InChI=1S/C15H21N3O5/c1-16-6-8-23-13-10(18-15(19)17-2)11(20-3)9-5-7-22-12(9)14(13)21-4/h5,7,16H,6,8H2,1-4H3,(H2,17,18,19)
InChIKey
ZFQAAUBZXQLNON-UHFFFAOYSA-N
Compound name
1-[4,7-dimethoxy-6-[2-(methylamino)ethoxy]-1-benzofuran-5-yl]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.14813 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.15541 175.2
[M+Na]+ 346.13735 184.0
[M+NH4]+ 341.18195 180.4
[M+K]+ 362.11129 181.7
[M-H]- 322.14085 178.0
[M+Na-2H]- 344.12280 177.5
[M]+ 323.14758 176.8
[M]- 323.14868 176.8
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.