CID 24844982

Pyrido(2,3-d)pyrimidin-4(3h)-one, 3-(4-morpholinylmethyl)-

Structural Information

Molecular Formula
C12H14N4O2
SMILES
C1COCCN1CN2C=NC3=C(C2=O)C=CC=N3
InChI
InChI=1S/C12H14N4O2/c17-12-10-2-1-3-13-11(10)14-8-16(12)9-15-4-6-18-7-5-15/h1-3,8H,4-7,9H2
InChIKey
BOASNWJBTPXOJQ-UHFFFAOYSA-N
Compound name
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

246.11168 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.11896 156.2
[M+Na]+ 269.10090 164.2
[M-H]- 245.10440 158.2
[M+NH4]+ 264.14550 167.1
[M+K]+ 285.07484 160.9
[M+H-H2O]+ 229.10894 145.0
[M+HCOO]- 291.10988 170.7
[M+CH3COO]- 305.12553 166.5
[M+Na-2H]- 267.08635 164.0
[M]+ 246.11113 154.3
[M]- 246.11223 154.3
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.