CID 14916840

145733-63-7

Structural Information

Molecular Formula
C9H11N3O
SMILES
CC1=C2CCC(=O)NC2=NC(=N1)C
InChI
InChI=1S/C9H11N3O/c1-5-7-3-4-8(13)12-9(7)11-6(2)10-5/h3-4H2,1-2H3,(H,10,11,12,13)
InChIKey
CXVCPPQCXTUFQC-UHFFFAOYSA-N
Compound name
2,4-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

177.09021 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.09749 139.2
[M+Na]+ 200.07943 148.8
[M-H]- 176.08293 138.5
[M+NH4]+ 195.12403 156.1
[M+K]+ 216.05337 144.9
[M+H-H2O]+ 160.08747 131.6
[M+HCOO]- 222.08841 155.6
[M+CH3COO]- 236.10406 179.7
[M+Na-2H]- 198.06488 145.8
[M]+ 177.08966 136.6
[M]- 177.09076 136.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe