CID 3051901

N-((tetrahydro-2h-pyran-2-yl)methyl)-n'-(3,4,5-trimethoxyphenyl)urea

Structural Information

Molecular Formula
C16H24N2O5
SMILES
COC1=CC(=CC(=C1OC)OC)NC(=O)NCC2CCCCO2
InChI
InChI=1S/C16H24N2O5/c1-20-13-8-11(9-14(21-2)15(13)22-3)18-16(19)17-10-12-6-4-5-7-23-12/h8-9,12H,4-7,10H2,1-3H3,(H2,17,18,19)
InChIKey
AGQUJYDVCHJGRR-UHFFFAOYSA-N
Compound name
1-(oxan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.16852 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.17580 176.0
[M+Na]+ 347.15774 179.4
[M-H]- 323.16124 182.5
[M+NH4]+ 342.20234 188.0
[M+K]+ 363.13168 179.5
[M+H-H2O]+ 307.16578 167.1
[M+HCOO]- 369.16672 196.6
[M+CH3COO]- 383.18237 212.2
[M+Na-2H]- 345.14319 178.6
[M]+ 324.16797 177.6
[M]- 324.16907 177.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.