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 193.4
[M+Na]+ 414.19994 198.1
[M-H]- 390.20344 200.6
[M+NH4]+ 409.24454 206.1
[M+K]+ 430.17388 197.4
[M+H-H2O]+ 374.20798 185.5
[M+HCOO]- 436.20892 214.4
[M+CH3COO]- 450.22457 225.6
[M+Na-2H]- 412.18539 192.5
[M]+ 391.21017 199.8
[M]- 391.21127 199.8
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.