CID 135567106

3h,4h-pyrido[3,4-d]pyrimidin-4-one

Structural Information

Molecular Formula
C7H5N3O
SMILES
C1=CN=CC2=C1C(=O)NC=N2
InChI
InChI=1S/C7H5N3O/c11-7-5-1-2-8-3-6(5)9-4-10-7/h1-4H,(H,9,10,11)
InChIKey
QMOPAFMMLWUTKI-UHFFFAOYSA-N
Compound name
3H-pyrido[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

426
Patents

147.04326 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.05054 126.4
[M+Na]+ 170.03248 137.1
[M-H]- 146.03598 126.0
[M+NH4]+ 165.07708 144.1
[M+K]+ 186.00642 133.1
[M+H-H2O]+ 130.04052 118.8
[M+HCOO]- 192.04146 146.4
[M+CH3COO]- 206.05711 139.7
[M+Na-2H]- 168.01793 137.8
[M]+ 147.04271 125.2
[M]- 147.04381 125.2
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