CID 3051900

N-((tetrahydro-2-furanyl)methyl)-n'-(3,4,5-trimethoxyphenyl)urea

Structural Information

Molecular Formula
C15H22N2O5
SMILES
COC1=CC(=CC(=C1OC)OC)NC(=O)NCC2CCCO2
InChI
InChI=1S/C15H22N2O5/c1-19-12-7-10(8-13(20-2)14(12)21-3)17-15(18)16-9-11-5-4-6-22-11/h7-8,11H,4-6,9H2,1-3H3,(H2,16,17,18)
InChIKey
QIIYFAFAEZTHBQ-UHFFFAOYSA-N
Compound name
1-(oxolan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.15286 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.16014 171.0
[M+Na]+ 333.14208 175.6
[M-H]- 309.14558 178.2
[M+NH4]+ 328.18668 185.6
[M+K]+ 349.11602 175.8
[M+H-H2O]+ 293.15012 163.3
[M+HCOO]- 355.15106 194.3
[M+CH3COO]- 369.16671 208.6
[M+Na-2H]- 331.12753 173.0
[M]+ 310.15231 174.4
[M]- 310.15341 174.4
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.