CID 3051869

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

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]+ 309.180876 172.2
[M+Na]+ 331.162818 176.5
[M-H]- 307.166324 180.0
[M+NH4]+ 326.207423 188.8
[M+K]+ 347.136758 176.4
[M+H-H2O]+ 291.170860 164.3
[M+HCOO]- 353.171801 196.3
[M+CH3COO]- 367.187451 212.5
[M+Na-2H]- 329.148266 171.9
[M]+ 308.17305142 175.1
[M]- 308.17414858 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.