CID 3079290

4h-pyrido(1,2-a)pyrimidine-3-carboxamide, 4-oxo-n-propyl-

Structural Information

Molecular Formula
C12H13N3O2
SMILES
CCCNC(=O)C1=CN=C2C=CC=CN2C1=O
InChI
InChI=1S/C12H13N3O2/c1-2-6-13-11(16)9-8-14-10-5-3-4-7-15(10)12(9)17/h3-5,7-8H,2,6H2,1H3,(H,13,16)
InChIKey
CWHZPLLXIYSITB-UHFFFAOYSA-N
Compound name
4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

231.10077 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.108046 149.9
[M+Na]+ 254.089988 158.7
[M-H]- 230.093494 151.9
[M+NH4]+ 249.134593 166.0
[M+K]+ 270.063928 155.1
[M+H-H2O]+ 214.098030 141.7
[M+HCOO]- 276.098971 171.5
[M+CH3COO]- 290.114621 193.0
[M+Na-2H]- 252.075436 157.6
[M]+ 231.10022142 151.4
[M]- 231.10131858 151.4
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