CID 135624378

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

Structural Information

Molecular Formula
C8H7N3O
SMILES
CC1=NC2=C(C=CN=C2)C(=O)N1
InChI
InChI=1S/C8H7N3O/c1-5-10-7-4-9-3-2-6(7)8(12)11-5/h2-4H,1H3,(H,10,11,12)
InChIKey
ZZGGQKRBGZEHKC-UHFFFAOYSA-N
Compound name
2-methyl-3H-pyrido[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

161.05891 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.066186 131.3
[M+Na]+ 184.048128 142.6
[M-H]- 160.051634 131.2
[M+NH4]+ 179.092733 148.8
[M+K]+ 200.022068 138.4
[M+H-H2O]+ 144.056170 123.8
[M+HCOO]- 206.057111 151.0
[M+CH3COO]- 220.072761 144.6
[M+Na-2H]- 182.033576 141.5
[M]+ 161.05836142 130.9
[M]- 161.05945858 130.9
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