CID 154699790

Ns00117523

Structural Information

Molecular Formula
C17H23N3O2
SMILES
CCC1=NC2=C(C=C1)C(=NC(=O)N2CC)C3CCC[C@H](C3)O
InChI
InChI=1S/C17H23N3O2/c1-3-12-8-9-14-15(11-6-5-7-13(21)10-11)19-17(22)20(4-2)16(14)18-12/h8-9,11,13,21H,3-7,10H2,1-2H3/t11?,13-/m1/s1
InChIKey
MJELJBCAAHPYTL-GLGOKHISSA-N
Compound name
1,7-diethyl-4-[(3R)-3-hydroxycyclohexyl]pyrido[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.17902 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.186296 174.9
[M+Na]+ 324.168238 182.8
[M-H]- 300.171744 176.7
[M+NH4]+ 319.212843 186.5
[M+K]+ 340.142178 177.0
[M+H-H2O]+ 284.176280 164.8
[M+HCOO]- 346.177221 188.5
[M+CH3COO]- 360.192871 204.7
[M+Na-2H]- 322.153686 177.1
[M]+ 301.17847142 173.1
[M]- 301.17956858 173.1
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.