CID 3079281

125055-59-6

Structural Information

Molecular Formula
C18H25N3O2
SMILES
CCCCCCCCNC(=O)C1=CN=C2C=CC=C(N2C1=O)C
InChI
InChI=1S/C18H25N3O2/c1-3-4-5-6-7-8-12-19-17(22)15-13-20-16-11-9-10-14(2)21(16)18(15)23/h9-11,13H,3-8,12H2,1-2H3,(H,19,22)
InChIKey
GITXJJGLSZCFIR-UHFFFAOYSA-N
Compound name
6-methyl-N-octyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

315.19467 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.20195 177.5
[M+Na]+ 338.18389 184.5
[M-H]- 314.18739 178.8
[M+NH4]+ 333.22849 190.5
[M+K]+ 354.15783 179.7
[M+H-H2O]+ 298.19193 168.3
[M+HCOO]- 360.19287 197.0
[M+CH3COO]- 374.20852 212.2
[M+Na-2H]- 336.16934 181.3
[M]+ 315.19412 181.6
[M]- 315.19522 181.6
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