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 180.1
[M+Na]+ 360.18938 183.0
[M-H]- 336.19288 184.3
[M+NH4]+ 355.23398 191.6
[M+K]+ 376.16332 181.3
[M+H-H2O]+ 320.19742 170.5
[M+HCOO]- 382.19836 199.9
[M+CH3COO]- 396.21401 215.5
[M+Na-2H]- 358.17483 181.5
[M]+ 337.19961 180.5
[M]- 337.20071 180.5
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.