CID 3050333

Brn 5161458

Structural Information

Molecular Formula
C20H29N3O5
SMILES
CCNC(=O)NC1=C(C2=C(C(=C1OCCN3CCCCC3)OC)OC=C2)OC
InChI
InChI=1S/C20H29N3O5/c1-4-21-20(24)22-15-16(25-2)14-8-12-27-17(14)19(26-3)18(15)28-13-11-23-9-6-5-7-10-23/h8,12H,4-7,9-11,13H2,1-3H3,(H2,21,22,24)
InChIKey
GBKYUWPHAVLJGR-UHFFFAOYSA-N
Compound name
1-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]-3-ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

391.21072 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.21800 192.5
[M+Na]+ 414.19994 196.9
[M-H]- 390.20344 198.9
[M+NH4]+ 409.24454 203.4
[M+K]+ 430.17388 195.5
[M+H-H2O]+ 374.20798 183.2
[M+HCOO]- 436.20892 212.4
[M+CH3COO]- 450.22457 225.3
[M+Na-2H]- 412.18539 194.2
[M]+ 391.21017 197.3
[M]- 391.21127 197.3
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.