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
5
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 161.6
[M+Na]+ 291.14275 169.9
[M-H]- 267.14625 164.8
[M+NH4]+ 286.18735 174.1
[M+K]+ 307.11669 167.3
[M+H-H2O]+ 251.15079 152.4
[M+HCOO]- 313.15173 179.2
[M+CH3COO]- 327.16738 202.0
[M+Na-2H]- 289.12820 163.4
[M]+ 268.15298 160.8
[M]- 268.15408 160.8
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.