CID 120892

1041-18-5

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]+ 309.180876 171.6
[M+Na]+ 331.162818 174.9
[M-H]- 307.166324 177.4
[M+NH4]+ 326.207423 185.6
[M+K]+ 347.136758 173.6
[M+H-H2O]+ 291.170860 163.1
[M+HCOO]- 353.171801 193.0
[M+CH3COO]- 367.187451 209.8
[M+Na-2H]- 329.148266 173.3
[M]+ 308.17305142 171.0
[M]- 308.17414858 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.