CID 3063592

3-(2-hydroxy-3-morpholinopropyl)-2-methylpyrido(2,3-d)pyrimidin-4(3h)-one

Structural Information

Molecular Formula
C15H20N4O3
SMILES
CC1=NC2=C(C=CC=N2)C(=O)N1CC(CN3CCOCC3)O
InChI
InChI=1S/C15H20N4O3/c1-11-17-14-13(3-2-4-16-14)15(21)19(11)10-12(20)9-18-5-7-22-8-6-18/h2-4,12,20H,5-10H2,1H3
InChIKey
RJZCJICABJBDTD-UHFFFAOYSA-N
Compound name
3-(2-hydroxy-3-morpholin-4-ylpropyl)-2-methylpyrido[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.15353 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.16081 173.3
[M+Na]+ 327.14275 180.0
[M-H]- 303.14625 174.1
[M+NH4]+ 322.18735 181.3
[M+K]+ 343.11669 176.4
[M+H-H2O]+ 287.15079 162.2
[M+HCOO]- 349.15173 184.5
[M+CH3COO]- 363.16738 181.7
[M+Na-2H]- 325.12820 177.4
[M]+ 304.15298 171.9
[M]- 304.15408 171.9
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.