CID 210589

21330-97-2

Structural Information

Molecular Formula
C24H40N2O5
SMILES
CCCCCCCCCC(=O)OC1CCC(CC1)N2C(=O)C(C(=O)NC2=O)CCCC
InChI
InChI=1S/C24H40N2O5/c1-3-5-7-8-9-10-11-13-21(27)31-19-16-14-18(15-17-19)26-23(29)20(12-6-4-2)22(28)25-24(26)30/h18-20H,3-17H2,1-2H3,(H,25,28,30)
InChIKey
SDMUOFJUIGEWBM-UHFFFAOYSA-N
Compound name
[4-(5-butyl-2,4,6-trioxo-1,3-diazinan-1-yl)cyclohexyl] decanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

436.29373 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.30101 210.5
[M+Na]+ 459.28295 211.1
[M-H]- 435.28645 210.1
[M+NH4]+ 454.32755 216.3
[M+K]+ 475.25689 206.3
[M+H-H2O]+ 419.29099 200.5
[M+HCOO]- 481.29193 219.2
[M+CH3COO]- 495.30758 230.7
[M+Na-2H]- 457.26840 202.9
[M]+ 436.29318 209.4
[M]- 436.29428 209.4
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