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]+ 338.17104 178.9
[M+Na]+ 360.15298 186.0
[M-H]- 336.15648 186.2
[M+NH4]+ 355.19758 194.3
[M+K]+ 376.12692 187.0
[M+H-H2O]+ 320.16102 171.1
[M+HCOO]- 382.16196 205.7
[M+CH3COO]- 396.17761 222.2
[M+Na-2H]- 358.13843 182.7
[M]+ 337.16321 189.0
[M]- 337.16431 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.