CID 136380778

7-acetyl-3h,4h,5h,6h,7h,8h-pyrido[3,4-d]pyrimidin-4-one

Structural Information

Molecular Formula
C9H11N3O2
SMILES
CC(=O)N1CCC2=C(C1)N=CNC2=O
InChI
InChI=1S/C9H11N3O2/c1-6(13)12-3-2-7-8(4-12)10-5-11-9(7)14/h5H,2-4H2,1H3,(H,10,11,14)
InChIKey
MJBLEBUIYYUFGR-UHFFFAOYSA-N
Compound name
7-acetyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.08513 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.092406 141.1
[M+Na]+ 216.074348 149.7
[M-H]- 192.077854 140.2
[M+NH4]+ 211.118953 157.0
[M+K]+ 232.048288 146.3
[M+H-H2O]+ 176.082390 133.3
[M+HCOO]- 238.083331 156.9
[M+CH3COO]- 252.098981 180.2
[M+Na-2H]- 214.059796 147.4
[M]+ 193.08458142 138.2
[M]- 193.08567858 138.2
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.