CID 120892

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

Structural Information

Molecular Formula
C16H24N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)NC(=O)NC2CCCCC2
InChI
InChI=1S/C16H24N2O4/c1-20-13-9-12(10-14(21-2)15(13)22-3)18-16(19)17-11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3,(H2,17,18,19)
InChIKey
ICLXGFUYXPKYLD-UHFFFAOYSA-N
Compound name
1-cyclohexyl-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

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.18088 171.6
[M+Na]+ 331.16282 174.9
[M-H]- 307.16632 177.4
[M+NH4]+ 326.20742 185.6
[M+K]+ 347.13676 173.6
[M+H-H2O]+ 291.17086 163.1
[M+HCOO]- 353.17180 193.0
[M+CH3COO]- 367.18745 209.8
[M+Na-2H]- 329.14827 173.3
[M]+ 308.17305 171.0
[M]- 308.17415 171.0
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.