CID 4359

1-cyclohexyl-3-decyl-urea

Structural Information

Molecular Formula
C17H34N2O
SMILES
CCCCCCCCCCNC(=O)NC1CCCCC1
InChI
InChI=1S/C17H34N2O/c1-2-3-4-5-6-7-8-12-15-18-17(20)19-16-13-10-9-11-14-16/h16H,2-15H2,1H3,(H2,18,19,20)
InChIKey
LPXYBLIRYGCMPQ-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-decylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

36
Patents

282.26712 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.274396 175.2
[M+Na]+ 305.256338 174.4
[M-H]- 281.259844 175.9
[M+NH4]+ 300.300943 190.0
[M+K]+ 321.230278 171.5
[M+H-H2O]+ 265.264380 167.1
[M+HCOO]- 327.265321 194.1
[M+CH3COO]- 341.280971 207.1
[M+Na-2H]- 303.241786 175.4
[M]+ 282.26657142 172.0
[M]- 282.26766858 172.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe