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]+ 269.160806 161.6
[M+Na]+ 291.142748 169.9
[M-H]- 267.146254 164.8
[M+NH4]+ 286.187353 174.1
[M+K]+ 307.116688 167.3
[M+H-H2O]+ 251.150790 152.4
[M+HCOO]- 313.151731 179.2
[M+CH3COO]- 327.167381 202.0
[M+Na-2H]- 289.128196 163.4
[M]+ 268.15298142 160.8
[M]- 268.15407858 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.