CID 21155941

39992-90-0

Structural Information

Molecular Formula
C16H32N4O2
SMILES
CC1(CC(CC(C1)(C)CNC(=O)N(C)C)NC(=O)N(C)C)C
InChI
InChI=1S/C16H32N4O2/c1-15(2)8-12(18-14(22)20(6)7)9-16(3,10-15)11-17-13(21)19(4)5/h12H,8-11H2,1-7H3,(H,17,21)(H,18,22)
InChIKey
UZEZQRZYPITAFY-UHFFFAOYSA-N
Compound name
3-[3-[(dimethylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

83
Patents

312.25253 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.259806 174.9
[M+Na]+ 335.241748 177.3
[M-H]- 311.245254 180.2
[M+NH4]+ 330.286353 193.8
[M+K]+ 351.215688 179.2
[M+H-H2O]+ 295.249790 169.5
[M+HCOO]- 357.250731 196.5
[M+CH3COO]- 371.266381 223.6
[M+Na-2H]- 333.227196 175.5
[M]+ 312.25198142 174.0
[M]- 312.25307858 174.0
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

patents stripe