CID 3058991

Brn 5155313

Structural Information

Molecular Formula
C20H31N3O5
SMILES
CCCN(CCC)CCOC1=C(C2=C(C=CO2)C(=C1NC(=O)NC)OC)OC
InChI
InChI=1S/C20H31N3O5/c1-6-9-23(10-7-2)11-13-28-18-15(22-20(24)21-3)16(25-4)14-8-12-27-17(14)19(18)26-5/h8,12H,6-7,9-11,13H2,1-5H3,(H2,21,22,24)
InChIKey
VVYUESWTYUBSFB-UHFFFAOYSA-N
Compound name
1-[6-[2-(dipropylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.22638 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.23366 197.6
[M+Na]+ 416.21560 202.9
[M-H]- 392.21910 204.1
[M+NH4]+ 411.26020 210.7
[M+K]+ 432.18954 203.1
[M+H-H2O]+ 376.22364 189.0
[M+HCOO]- 438.22458 223.0
[M+CH3COO]- 452.24023 234.0
[M+Na-2H]- 414.20105 199.3
[M]+ 393.22583 209.0
[M]- 393.22693 209.0
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.