CID 4347248

N-cyclohexyl-n'-(1-methylhexyl)urea

Structural Information

Molecular Formula
C14H28N2O
SMILES
CCCCCC(C)NC(=O)NC1CCCCC1
InChI
InChI=1S/C14H28N2O/c1-3-4-6-9-12(2)15-14(17)16-13-10-7-5-8-11-13/h12-13H,3-11H2,1-2H3,(H2,15,16,17)
InChIKey
DOHSYLIAVBYZPU-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-heptan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.22017 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.227446 162.9
[M+Na]+ 263.209388 163.2
[M-H]- 239.212894 164.4
[M+NH4]+ 258.253993 179.4
[M+K]+ 279.183328 161.6
[M+H-H2O]+ 223.217430 155.6
[M+HCOO]- 285.218371 181.9
[M+CH3COO]- 299.234021 198.9
[M+Na-2H]- 261.194836 163.4
[M]+ 240.21962142 158.0
[M]- 240.22071858 158.0
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.