CID 3058989

75883-78-2

Structural Information

Molecular Formula
C19H27N3O5
SMILES
CNC(=O)NC1=C(C2=C(C(=C1OC)OC)OC=C2)OCCN3CCCCC3
InChI
InChI=1S/C19H27N3O5/c1-20-19(23)21-14-15(27-12-10-22-8-5-4-6-9-22)13-7-11-26-16(13)18(25-3)17(14)24-2/h7,11H,4-6,8-10,12H2,1-3H3,(H2,20,21,23)
InChIKey
NPCABQKKXHZMPK-UHFFFAOYSA-N
Compound name
1-[6,7-dimethoxy-4-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.19507 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.202346 188.0
[M+Na]+ 400.184288 192.9
[M-H]- 376.187794 194.6
[M+NH4]+ 395.228893 199.5
[M+K]+ 416.158228 191.7
[M+H-H2O]+ 360.192330 178.9
[M+HCOO]- 422.193271 208.2
[M+CH3COO]- 436.208921 222.4
[M+Na-2H]- 398.169736 190.2
[M]+ 377.19452142 192.5
[M]- 377.19561858 192.5
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

No patent data available for this compound.