CID 3063597

2-methyl-3-morpholinomethylpyrido(2,3-d)pyrimidin-4(3h)-one

Structural Information

Molecular Formula
C13H16N4O2
SMILES
CC1=NC2=C(C=CC=N2)C(=O)N1CN3CCOCC3
InChI
InChI=1S/C13H16N4O2/c1-10-15-12-11(3-2-4-14-12)13(18)17(10)9-16-5-7-19-8-6-16/h2-4H,5-9H2,1H3
InChIKey
QYLYUZLWIAOOTA-UHFFFAOYSA-N
Compound name
2-methyl-3-(morpholin-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.12732 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.134596 161.7
[M+Na]+ 283.116538 170.2
[M-H]- 259.120044 164.0
[M+NH4]+ 278.161143 172.4
[M+K]+ 299.090478 166.7
[M+H-H2O]+ 243.124580 150.6
[M+HCOO]- 305.125521 175.8
[M+CH3COO]- 319.141171 171.9
[M+Na-2H]- 281.101986 168.2
[M]+ 260.12677142 160.6
[M]- 260.12786858 160.6
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.