CID 199552

4394-23-4

Structural Information

Molecular Formula
C13H18N2O5
SMILES
CC1C(=O)NC(=O)N(C1=O)C2CCC(CC2)OC(=O)C
InChI
InChI=1S/C13H18N2O5/c1-7-11(17)14-13(19)15(12(7)18)9-3-5-10(6-4-9)20-8(2)16/h7,9-10H,3-6H2,1-2H3,(H,14,17,19)
InChIKey
KTWAKIZSPUJCDX-UHFFFAOYSA-N
Compound name
[4-(5-methyl-2,4,6-trioxo-1,3-diazinan-1-yl)cyclohexyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

282.12158 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.128856 163.3
[M+Na]+ 305.110798 168.9
[M-H]- 281.114304 165.2
[M+NH4]+ 300.155403 175.6
[M+K]+ 321.084738 166.4
[M+H-H2O]+ 265.118840 155.5
[M+HCOO]- 327.119781 175.8
[M+CH3COO]- 341.135431 198.1
[M+Na-2H]- 303.096246 161.2
[M]+ 282.12103142 158.4
[M]- 282.12212858 158.4
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