CID 3058971

Brn 5163961

Structural Information

Molecular Formula
C18H25N3O6
SMILES
CNC(=O)NC1=C(C2=C(C(=C1OCCN3CCOCC3)OC)OC=C2)OC
InChI
InChI=1S/C18H25N3O6/c1-19-18(22)20-13-14(23-2)12-4-8-26-15(12)17(24-3)16(13)27-11-7-21-5-9-25-10-6-21/h4,8H,5-7,9-11H2,1-3H3,(H2,19,20,22)
InChIKey
QQKDUAFYUSWDQP-UHFFFAOYSA-N
Compound name
1-[4,7-dimethoxy-6-(2-morpholin-4-ylethoxy)-1-benzofuran-5-yl]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

379.17435 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.18163 187.9
[M+Na]+ 402.16357 193.2
[M-H]- 378.16707 195.4
[M+NH4]+ 397.20817 197.9
[M+K]+ 418.13751 193.7
[M+H-H2O]+ 362.17161 178.9
[M+HCOO]- 424.17255 207.6
[M+CH3COO]- 438.18820 222.1
[M+Na-2H]- 400.14902 191.2
[M]+ 379.17380 194.1
[M]- 379.17490 194.1
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.