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

6
Patents

315.19467 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.201946 177.5
[M+Na]+ 338.183888 184.5
[M-H]- 314.187394 178.8
[M+NH4]+ 333.228493 190.5
[M+K]+ 354.157828 179.7
[M+H-H2O]+ 298.191930 168.3
[M+HCOO]- 360.192871 197.0
[M+CH3COO]- 374.208521 212.2
[M+Na-2H]- 336.169336 181.3
[M]+ 315.19412142 181.6
[M]- 315.19521858 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