CID 3051869

Urea, n-cyclopentyl-n-methyl-n'-(3,4,5-trimethoxyphenyl)-

Structural Information

Molecular Formula
C16H24N2O4
SMILES
CN(C1CCCC1)C(=O)NC2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C16H24N2O4/c1-18(12-7-5-6-8-12)16(19)17-11-9-13(20-2)15(22-4)14(10-11)21-3/h9-10,12H,5-8H2,1-4H3,(H,17,19)
InChIKey
WZZIAOHHCIDWKH-UHFFFAOYSA-N
Compound name
1-cyclopentyl-1-methyl-3-(3,4,5-trimethoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1736 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.18088 172.2
[M+Na]+ 331.16282 176.5
[M-H]- 307.16632 180.0
[M+NH4]+ 326.20742 188.8
[M+K]+ 347.13676 176.4
[M+H-H2O]+ 291.17086 164.3
[M+HCOO]- 353.17180 196.3
[M+CH3COO]- 367.18745 212.5
[M+Na-2H]- 329.14827 171.9
[M]+ 308.17305 175.1
[M]- 308.17415 175.1
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.