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

95
Patents

312.25253 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.25981 174.9
[M+Na]+ 335.24175 177.3
[M-H]- 311.24525 180.2
[M+NH4]+ 330.28635 193.8
[M+K]+ 351.21569 179.2
[M+H-H2O]+ 295.24979 169.5
[M+HCOO]- 357.25073 196.5
[M+CH3COO]- 371.26638 223.6
[M+Na-2H]- 333.22720 175.5
[M]+ 312.25198 174.0
[M]- 312.25308 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