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]+ 313.259806 180.7
[M+Na]+ 335.241748 180.1
[M-H]- 311.245254 185.0
[M+NH4]+ 330.286353 195.1
[M+K]+ 351.215688 181.1
[M+H-H2O]+ 295.249790 172.1
[M+HCOO]- 357.250731 202.4
[M+CH3COO]- 371.266381 223.2
[M+Na-2H]- 333.227196 178.9
[M]+ 312.25198142 178.5
[M]- 312.25307858 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

literature stripe

Patent stripe

patents stripe