CID 3079280

125055-58-5

Structural Information

Molecular Formula
C17H23N3O2
SMILES
CCCCCCCNC(=O)C1=CN=C2C=CC=C(N2C1=O)C
InChI
InChI=1S/C17H23N3O2/c1-3-4-5-6-7-11-18-16(21)14-12-19-15-10-8-9-13(2)20(15)17(14)22/h8-10,12H,3-7,11H2,1-2H3,(H,18,21)
InChIKey
RVQRTCFHAKPSMO-UHFFFAOYSA-N
Compound name
N-heptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

301.17902 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.186296 173.0
[M+Na]+ 324.168238 180.5
[M-H]- 300.171744 174.5
[M+NH4]+ 319.212843 186.6
[M+K]+ 340.142178 175.8
[M+H-H2O]+ 284.176280 164.0
[M+HCOO]- 346.177221 192.9
[M+CH3COO]- 360.192871 209.3
[M+Na-2H]- 322.153686 177.3
[M]+ 301.17847142 176.7
[M]- 301.17956858 176.7
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