CID 3051873

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

Structural Information

Molecular Formula
C18H28N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)NC(=O)NC2CCCCCCC2
InChI
InChI=1S/C18H28N2O4/c1-22-15-11-14(12-16(23-2)17(15)24-3)20-18(21)19-13-9-7-5-4-6-8-10-13/h11-13H,4-10H2,1-3H3,(H2,19,20,21)
InChIKey
CPYOQOGNLMJVRQ-UHFFFAOYSA-N
Compound name
1-cyclooctyl-3-(3,4,5-trimethoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.2049 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.21218 164.5
[M+Na]+ 359.19412 167.2
[M+NH4]+ 354.23872 166.4
[M+K]+ 375.16806 166.2
[M-H]- 335.19762 165.6
[M+Na-2H]- 357.17957 166.6
[M]+ 336.20435 165.0
[M]- 336.20545 165.0
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.