CID 3058975

Brn 5166702

Structural Information

Molecular Formula
C22H33N3O5
SMILES
CC(C)(C)NC(=O)NC1=C(C2=C(C(=C1OCCN3CCCCC3)OC)OC=C2)OC
InChI
InChI=1S/C22H33N3O5/c1-22(2,3)24-21(26)23-16-17(27-4)15-9-13-29-18(15)20(28-5)19(16)30-14-12-25-10-7-6-8-11-25/h9,13H,6-8,10-12,14H2,1-5H3,(H2,23,24,26)
InChIKey
GYRFOJYRTCMWDM-UHFFFAOYSA-N
Compound name
1-tert-butyl-3-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

419.24203 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.24931 202.4
[M+Na]+ 442.23125 206.3
[M-H]- 418.23475 208.8
[M+NH4]+ 437.27585 212.3
[M+K]+ 458.20519 205.2
[M+H-H2O]+ 402.23929 193.6
[M+HCOO]- 464.24023 219.9
[M+CH3COO]- 478.25588 231.1
[M+Na-2H]- 440.21670 204.3
[M]+ 419.24148 207.3
[M]- 419.24258 207.3
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.