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

48
Patents

177.09021 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.097486 139.2
[M+Na]+ 200.079428 148.8
[M-H]- 176.082934 138.5
[M+NH4]+ 195.124033 156.1
[M+K]+ 216.053368 144.9
[M+H-H2O]+ 160.087470 131.6
[M+HCOO]- 222.088411 155.6
[M+CH3COO]- 236.104061 179.7
[M+Na-2H]- 198.064876 145.8
[M]+ 177.08966142 136.6
[M]- 177.09075858 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