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]+ 378.20235 188.0
[M+Na]+ 400.18429 192.9
[M-H]- 376.18779 194.6
[M+NH4]+ 395.22889 199.5
[M+K]+ 416.15823 191.7
[M+H-H2O]+ 360.19233 178.9
[M+HCOO]- 422.19327 208.2
[M+CH3COO]- 436.20892 222.4
[M+Na-2H]- 398.16974 190.2
[M]+ 377.19452 192.5
[M]- 377.19562 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.