CID 3050339

Urea, 1-(4,7-dimethoxy-6-(2-(4-methyl-1-piperazinyl)ethoxy)-5-benzofuranyl)-3-methyl-, hydrate

Structural Information

Molecular Formula
C19H28N4O5
SMILES
CNC(=O)NC1=C(C2=C(C(=C1OCCN3CCN(CC3)C)OC)OC=C2)OC
InChI
InChI=1S/C19H28N4O5/c1-20-19(24)21-14-15(25-3)13-5-11-27-16(13)18(26-4)17(14)28-12-10-23-8-6-22(2)7-9-23/h5,11H,6-10,12H2,1-4H3,(H2,20,21,24)
InChIKey
ALFULVYEAUVSFA-UHFFFAOYSA-N
Compound name
1-[4,7-dimethoxy-6-[2-(4-methylpiperazin-1-yl)ethoxy]-1-benzofuran-5-yl]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.20596 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.21324 193.2
[M+Na]+ 415.19518 198.9
[M-H]- 391.19868 198.9
[M+NH4]+ 410.23978 203.0
[M+K]+ 431.16912 197.6
[M+H-H2O]+ 375.20322 183.5
[M+HCOO]- 437.20416 212.0
[M+CH3COO]- 451.21981 226.4
[M+Na-2H]- 413.18063 194.6
[M]+ 392.20541 198.6
[M]- 392.20651 198.6
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.