CID 3050335

Brn 5147042

Structural Information

Molecular Formula
C18H27N3O5
SMILES
CCN(CC)CCOC1=C(C2=C(C=CO2)C(=C1NC(=O)NC)OC)OC
InChI
InChI=1S/C18H27N3O5/c1-6-21(7-2)9-11-26-16-13(20-18(22)19-3)14(23-4)12-8-10-25-15(12)17(16)24-5/h8,10H,6-7,9,11H2,1-5H3,(H2,19,20,22)
InChIKey
LCNHRXWPYBRJOK-UHFFFAOYSA-N
Compound name
1-[6-[2-(diethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.19507 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.20235 188.3
[M+Na]+ 388.18429 194.5
[M-H]- 364.18779 195.2
[M+NH4]+ 383.22889 202.6
[M+K]+ 404.15823 195.1
[M+H-H2O]+ 348.19233 180.1
[M+HCOO]- 410.19327 214.4
[M+CH3COO]- 424.20892 228.1
[M+Na-2H]- 386.16974 191.0
[M]+ 365.19452 199.0
[M]- 365.19562 199.0
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.