CID 155909

72585-88-7

Structural Information

Molecular Formula
C11H18N4O3
SMILES
CNC1=NC(=O)N(C(=O)N1C)C2CCC(CC2)O
InChI
InChI=1S/C11H18N4O3/c1-12-9-13-10(17)15(11(18)14(9)2)7-3-5-8(16)6-4-7/h7-8,16H,3-6H2,1-2H3,(H,12,13,17)
InChIKey
YLNFKJPRYUIXTG-UHFFFAOYSA-N
Compound name
3-(4-hydroxycyclohexyl)-1-methyl-6-(methylamino)-1,3,5-triazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

0
Patents

254.1379 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14518 158.4
[M+Na]+ 277.12712 167.0
[M-H]- 253.13062 160.3
[M+NH4]+ 272.17172 170.8
[M+K]+ 293.10106 163.3
[M+H-H2O]+ 237.13516 149.5
[M+HCOO]- 299.13610 175.8
[M+CH3COO]- 313.15175 195.7
[M+Na-2H]- 275.11257 161.3
[M]+ 254.13735 156.0
[M]- 254.13845 156.0
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.