CID 13332

Brn 0764215

Structural Information

Molecular Formula
C21H34N2O3
SMILES
CCCCCC1C(=O)N(C(=O)N(C1=O)C2CCCCC2)C3CCCCC3
InChI
InChI=1S/C21H34N2O3/c1-2-3-6-15-18-19(24)22(16-11-7-4-8-12-16)21(26)23(20(18)25)17-13-9-5-10-14-17/h16-18H,2-15H2,1H3
InChIKey
FIGXAXHTWHEEOX-UHFFFAOYSA-N
Compound name
1,3-dicyclohexyl-5-pentyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.25696 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.26424 193.6
[M+Na]+ 385.24618 194.3
[M-H]- 361.24968 197.5
[M+NH4]+ 380.29078 202.5
[M+K]+ 401.22012 189.6
[M+H-H2O]+ 345.25422 182.6
[M+HCOO]- 407.25516 202.1
[M+CH3COO]- 421.27081 217.5
[M+Na-2H]- 383.23163 187.7
[M]+ 362.25641 184.6
[M]- 362.25751 184.6
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.