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]+ 302.18630 174.9
[M+Na]+ 324.16824 182.8
[M-H]- 300.17174 176.7
[M+NH4]+ 319.21284 186.5
[M+K]+ 340.14218 177.0
[M+H-H2O]+ 284.17628 164.8
[M+HCOO]- 346.17722 188.5
[M+CH3COO]- 360.19287 204.7
[M+Na-2H]- 322.15369 177.1
[M]+ 301.17847 173.1
[M]- 301.17957 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.