CID 3050334

Brn 5138951

Structural Information

Molecular Formula
C16H23N3O5
SMILES
CNC(=O)NC1=C(C2=C(C(=C1OCCN(C)C)OC)OC=C2)OC
InChI
InChI=1S/C16H23N3O5/c1-17-16(20)18-11-12(21-4)10-6-8-23-13(10)15(22-5)14(11)24-9-7-19(2)3/h6,8H,7,9H2,1-5H3,(H2,17,18,20)
InChIKey
MTPXQJYDYWYMNG-UHFFFAOYSA-N
Compound name
1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.16376 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.171036 178.9
[M+Na]+ 360.152978 186.0
[M-H]- 336.156484 186.2
[M+NH4]+ 355.197583 194.3
[M+K]+ 376.126918 187.0
[M+H-H2O]+ 320.161020 171.1
[M+HCOO]- 382.161961 205.7
[M+CH3COO]- 396.177611 222.2
[M+Na-2H]- 358.138426 182.7
[M]+ 337.16321142 189.0
[M]- 337.16430858 189.0
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.