CID 12940

745-32-4

Structural Information

Molecular Formula
C20H32N2O3
SMILES
CC(C)CC1C(=O)N(C(=O)N(C1=O)C2CCCCC2)C3CCCCC3
InChI
InChI=1S/C20H32N2O3/c1-14(2)13-17-18(23)21(15-9-5-3-6-10-15)20(25)22(19(17)24)16-11-7-4-8-12-16/h14-17H,3-13H2,1-2H3
InChIKey
PEFJPFCZDCYQSO-UHFFFAOYSA-N
Compound name
1,3-dicyclohexyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

348.2413 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.24858 188.6
[M+Na]+ 371.23052 189.5
[M-H]- 347.23402 192.9
[M+NH4]+ 366.27512 198.1
[M+K]+ 387.20446 185.7
[M+H-H2O]+ 331.23856 178.2
[M+HCOO]- 393.23950 196.5
[M+CH3COO]- 407.25515 215.5
[M+Na-2H]- 369.21597 182.2
[M]+ 348.24075 178.8
[M]- 348.24185 178.8
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.