CID 3058990

N-(3,6-dimethoxy-5-(2-piperidinoethoxy)phenyl)-n'-methylurea hydrate

Structural Information

Molecular Formula
C17H27N3O4
SMILES
CNC(=O)NC1=C(C=CC(=C1OCCN2CCCCC2)OC)OC
InChI
InChI=1S/C17H27N3O4/c1-18-17(21)19-15-13(22-2)7-8-14(23-3)16(15)24-12-11-20-9-5-4-6-10-20/h7-8H,4-6,9-12H2,1-3H3,(H2,18,19,21)
InChIKey
KMQXRZNNAUYKTG-UHFFFAOYSA-N
Compound name
1-[3,6-dimethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.20016 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.20744 181.4
[M+Na]+ 360.18938 190.0
[M+NH4]+ 355.23398 186.7
[M+K]+ 376.16332 184.7
[M-H]- 336.19288 184.0
[M+Na-2H]- 358.17483 185.5
[M]+ 337.19961 182.9
[M]- 337.20071 182.9
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.