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 168.1
[M+Na]+ 359.19412 171.1
[M-H]- 335.19762 170.9
[M+NH4]+ 354.23872 174.1
[M+K]+ 375.16806 171.4
[M+H-H2O]+ 319.20216 163.3
[M+HCOO]- 381.20310 177.2
[M+CH3COO]- 395.21875 236.1
[M+Na-2H]- 357.17957 166.4
[M]+ 336.20435 167.6
[M]- 336.20545 167.6
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.