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]+ 325.175796 176.0
[M+Na]+ 347.157738 179.4
[M-H]- 323.161244 182.5
[M+NH4]+ 342.202343 188.0
[M+K]+ 363.131678 179.5
[M+H-H2O]+ 307.165780 167.1
[M+HCOO]- 369.166721 196.6
[M+CH3COO]- 383.182371 212.2
[M+Na-2H]- 345.143186 178.6
[M]+ 324.16797142 177.6
[M]- 324.16906858 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.