CID 3051873

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

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]+ 337.212176 168.1
[M+Na]+ 359.194118 171.1
[M-H]- 335.197624 170.9
[M+NH4]+ 354.238723 174.1
[M+K]+ 375.168058 171.4
[M+H-H2O]+ 319.202160 163.3
[M+HCOO]- 381.203101 177.2
[M+CH3COO]- 395.218751 236.1
[M+Na-2H]- 357.179566 166.4
[M]+ 336.20435142 167.6
[M]- 336.20544858 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.