CID 3051868

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

Structural Information

Molecular Formula
C15H22N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)NC(=O)NC2CCCC2
InChI
InChI=1S/C15H22N2O4/c1-19-12-8-11(9-13(20-2)14(12)21-3)17-15(18)16-10-6-4-5-7-10/h8-10H,4-7H2,1-3H3,(H2,16,17,18)
InChIKey
HCDZCIGHGCRMNC-UHFFFAOYSA-N
Compound name
1-cyclopentyl-3-(3,4,5-trimethoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

294.15796 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.16524 169.4
[M+Na]+ 317.14718 177.5
[M+NH4]+ 312.19178 175.6
[M+K]+ 333.12112 174.5
[M-H]- 293.15068 172.2
[M+Na-2H]- 315.13263 173.5
[M]+ 294.15741 170.8
[M]- 294.15851 170.8
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

patents stripe