CID 24847525

102433-27-2

Structural Information

Molecular Formula
C20H29N3O5
SMILES
CCC(COC1=C(C2=C(C=CO2)C(=C1NC(=O)NC)OC)OC)N3CCCC3
InChI
InChI=1S/C20H29N3O5/c1-5-13(23-9-6-7-10-23)12-28-18-15(22-20(24)21-2)16(25-3)14-8-11-27-17(14)19(18)26-4/h8,11,13H,5-7,9-10,12H2,1-4H3,(H2,21,22,24)
InChIKey
LPIJZMNLZFQQRS-UHFFFAOYSA-N
Compound name
1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylbutoxy)-1-benzofuran-5-yl]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.21072 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.21800 194.0
[M+Na]+ 414.19994 201.6
[M+NH4]+ 409.24454 198.8
[M+K]+ 430.17388 201.4
[M-H]- 390.20344 197.0
[M+Na-2H]- 412.18539 195.5
[M]+ 391.21017 195.4
[M]- 391.21127 195.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.