CID 242957

6637-24-7

Structural Information

Molecular Formula
C12H14N2O2
SMILES
CCCCC1C(=O)N=C2C=CC=CN2C1=O
InChI
InChI=1S/C12H14N2O2/c1-2-3-6-9-11(15)13-10-7-4-5-8-14(10)12(9)16/h4-5,7-9H,2-3,6H2,1H3
InChIKey
XFGGIHHAECLGKY-UHFFFAOYSA-N
Compound name
3-butylpyrido[1,2-a]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.10553 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 149.0
[M+Na]+ 241.09475 162.3
[M+NH4]+ 236.13935 156.6
[M+K]+ 257.06869 155.3
[M-H]- 217.09825 150.0
[M+Na-2H]- 239.08020 153.9
[M]+ 218.10498 151.0
[M]- 218.10608 151.0
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

No patent data available for this compound.