CID 155906

72576-13-7

Structural Information

Molecular Formula
C12H20N4O3
SMILES
CN1C(=NC(=O)N(C1=O)C2CCC(CC2)O)N(C)C
InChI
InChI=1S/C12H20N4O3/c1-14(2)10-13-11(18)16(12(19)15(10)3)8-4-6-9(17)7-5-8/h8-9,17H,4-7H2,1-3H3
InChIKey
ASCFMHBRJVKECO-UHFFFAOYSA-N
Compound name
6-(dimethylamino)-3-(4-hydroxycyclohexyl)-1-methyl-1,3,5-triazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

0
Patents

268.15353 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16081 161.1
[M+Na]+ 291.14275 172.8
[M+NH4]+ 286.18735 166.4
[M+K]+ 307.11669 168.6
[M-H]- 267.14625 162.5
[M+Na-2H]- 289.12820 165.7
[M]+ 268.15298 162.8
[M]- 268.15408 162.8
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

No patent data available for this compound.