CID 71444627

6-amino-3-cyclohexyl-1-methyl-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-dione

Structural Information

Molecular Formula
C10H16N4O2
SMILES
CN1C(=NC(=O)N(C1=O)C2CCCCC2)N
InChI
InChI=1S/C10H16N4O2/c1-13-8(11)12-9(15)14(10(13)16)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H2,11,12,15)
InChIKey
UIDNVKSMESONBI-UHFFFAOYSA-N
Compound name
6-amino-3-cyclohexyl-1-methyl-1,3,5-triazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.12732 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.13460 150.9
[M+Na]+ 247.11654 159.6
[M-H]- 223.12004 153.4
[M+NH4]+ 242.16114 164.8
[M+K]+ 263.09048 156.0
[M+H-H2O]+ 207.12458 141.8
[M+HCOO]- 269.12552 169.4
[M+CH3COO]- 283.14117 191.0
[M+Na-2H]- 245.10199 154.4
[M]+ 224.12677 147.2
[M]- 224.12787 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.