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]+ 225.134596 150.9
[M+Na]+ 247.116538 159.6
[M-H]- 223.120044 153.4
[M+NH4]+ 242.161143 164.8
[M+K]+ 263.090478 156.0
[M+H-H2O]+ 207.124580 141.8
[M+HCOO]- 269.125521 169.4
[M+CH3COO]- 283.141171 191.0
[M+Na-2H]- 245.101986 154.4
[M]+ 224.12677142 147.2
[M]- 224.12786858 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.