CID 3050348

66203-98-3

Structural Information

Molecular Formula
C20H29N3O5
SMILES
CC(CN1CCCCC1)OC2=C(C3=C(C=CO3)C(=C2NC(=O)NC)OC)OC
InChI
InChI=1S/C20H29N3O5/c1-13(12-23-9-6-5-7-10-23)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
YMCSRIIJHRAJBN-UHFFFAOYSA-N
Compound name
1-[4,7-dimethoxy-6-(1-piperidin-1-ylpropan-2-yloxy)-1-benzofuran-5-yl]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

391.21072 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.21800 193.3
[M+Na]+ 414.19994 197.3
[M-H]- 390.20344 199.8
[M+NH4]+ 409.24454 204.1
[M+K]+ 430.17388 196.6
[M+H-H2O]+ 374.20798 184.2
[M+HCOO]- 436.20892 212.1
[M+CH3COO]- 450.22457 226.3
[M+Na-2H]- 412.18539 193.8
[M]+ 391.21017 197.5
[M]- 391.21127 197.5
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

patents stripe