CID 135627628

109229-08-5

Structural Information

Molecular Formula
C7H9N3O
SMILES
C1CNCC2=C1N=CNC2=O
InChI
InChI=1S/C7H9N3O/c11-7-5-3-8-2-1-6(5)9-4-10-7/h4,8H,1-3H2,(H,9,10,11)
InChIKey
XYYZKOFIMYHHAG-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

77
Patents

151.07455 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.08183 130.4
[M+Na]+ 174.06377 143.1
[M+NH4]+ 169.10837 138.1
[M+K]+ 190.03771 137.2
[M-H]- 150.06727 130.3
[M+Na-2H]- 172.04922 135.9
[M]+ 151.07400 131.9
[M]- 151.07510 131.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe