CID 116786

Urea, n,n''-1,4-cyclohexanediylbis(n',n'-diethyl-

Structural Information

Molecular Formula
C16H32N4O2
SMILES
CCN(CC)C(=O)NC1CCC(CC1)NC(=O)N(CC)CC
InChI
InChI=1S/C16H32N4O2/c1-5-19(6-2)15(21)17-13-9-11-14(12-10-13)18-16(22)20(7-3)8-4/h13-14H,5-12H2,1-4H3,(H,17,21)(H,18,22)
InChIKey
RBHBFTQEIDXUJY-UHFFFAOYSA-N
Compound name
3-[4-(diethylcarbamoylamino)cyclohexyl]-1,1-diethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

312.25253 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.25981 180.7
[M+Na]+ 335.24175 180.1
[M-H]- 311.24525 185.0
[M+NH4]+ 330.28635 195.1
[M+K]+ 351.21569 181.1
[M+H-H2O]+ 295.24979 172.1
[M+HCOO]- 357.25073 202.4
[M+CH3COO]- 371.26638 223.2
[M+Na-2H]- 333.22720 178.9
[M]+ 312.25198 178.5
[M]- 312.25308 178.5
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.