CID 84021243

2-methyl-5h,6h,7h,8h-pyrido[2,3-d]pyrimidin-7-one

Structural Information

Molecular Formula
C8H9N3O
SMILES
CC1=NC=C2CCC(=O)NC2=N1
InChI
InChI=1S/C8H9N3O/c1-5-9-4-6-2-3-7(12)11-8(6)10-5/h4H,2-3H2,1H3,(H,9,10,11,12)
InChIKey
BXRNJOQSMMYQJW-UHFFFAOYSA-N
Compound name
2-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

163.07455 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.08183 134.3
[M+Na]+ 186.06377 143.4
[M-H]- 162.06727 133.4
[M+NH4]+ 181.10837 151.5
[M+K]+ 202.03771 139.8
[M+H-H2O]+ 146.07181 126.6
[M+HCOO]- 208.07275 151.1
[M+CH3COO]- 222.08840 146.4
[M+Na-2H]- 184.04922 142.3
[M]+ 163.07400 131.0
[M]- 163.07510 131.0
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