CID 23876

7391-65-3

Structural Information

Molecular Formula
C12H18N2O3
SMILES
CN1C(=O)C(C(=O)N(C1=O)C)C2CCCCC2
InChI
InChI=1S/C12H18N2O3/c1-13-10(15)9(8-6-4-3-5-7-8)11(16)14(2)12(13)17/h8-9H,3-7H2,1-2H3
InChIKey
ANBKBYQJFJUEBR-UHFFFAOYSA-N
Compound name
5-cyclohexyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

382
Patents

238.13174 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.13902 154.7
[M+Na]+ 261.12096 161.4
[M-H]- 237.12446 158.1
[M+NH4]+ 256.16556 169.8
[M+K]+ 277.09490 158.8
[M+H-H2O]+ 221.12900 146.8
[M+HCOO]- 283.12994 169.5
[M+CH3COO]- 297.14559 193.4
[M+Na-2H]- 259.10641 154.4
[M]+ 238.13119 149.8
[M]- 238.13229 149.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe