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 173.0
[M+Na]+ 346.13735 180.4
[M-H]- 322.14085 179.0
[M+NH4]+ 341.18195 188.4
[M+K]+ 362.11129 180.2
[M+H-H2O]+ 306.14539 165.4
[M+HCOO]- 368.14633 199.7
[M+CH3COO]- 382.16198 216.0
[M+Na-2H]- 344.12280 178.1
[M]+ 323.14758 181.5
[M]- 323.14868 181.5
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.