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

5
Patents

301.17902 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.18630 173.0
[M+Na]+ 324.16824 180.5
[M-H]- 300.17174 174.5
[M+NH4]+ 319.21284 186.6
[M+K]+ 340.14218 175.8
[M+H-H2O]+ 284.17628 164.0
[M+HCOO]- 346.17722 192.9
[M+CH3COO]- 360.19287 209.3
[M+Na-2H]- 322.15369 177.3
[M]+ 301.17847 176.7
[M]- 301.17957 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