CID 242957

3-butyl-3,4-dihydro-2h-pyrido-(1,2-a)pyrimidine-2,4-dione

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 148.0
[M+Na]+ 241.09475 156.8
[M-H]- 217.09825 149.6
[M+NH4]+ 236.13935 165.2
[M+K]+ 257.06869 153.4
[M+H-H2O]+ 201.10279 140.3
[M+HCOO]- 263.10373 166.7
[M+CH3COO]- 277.11938 189.7
[M+Na-2H]- 239.08020 153.8
[M]+ 218.10498 148.5
[M]- 218.10608 148.5
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.