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]+ 261.13460 161.7
[M+Na]+ 283.11654 170.2
[M-H]- 259.12004 164.0
[M+NH4]+ 278.16114 172.4
[M+K]+ 299.09048 166.7
[M+H-H2O]+ 243.12458 150.6
[M+HCOO]- 305.12552 175.8
[M+CH3COO]- 319.14117 171.9
[M+Na-2H]- 281.10199 168.2
[M]+ 260.12677 160.6
[M]- 260.12787 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.