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

83
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 130.5
[M+Na]+ 174.06377 138.6
[M-H]- 150.06727 127.9
[M+NH4]+ 169.10837 147.1
[M+K]+ 190.03771 134.3
[M+H-H2O]+ 134.07181 123.0
[M+HCOO]- 196.07275 146.1
[M+CH3COO]- 210.08840 141.9
[M+Na-2H]- 172.04922 139.3
[M]+ 151.07400 124.6
[M]- 151.07510 124.6
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