CID 3075178

172753-13-8

Structural Information

Molecular Formula
C16H13N3O2
SMILES
CC1=CC=C(C=C1)NC(=O)C2=CN=C3C=CC=CN3C2=O
InChI
InChI=1S/C16H13N3O2/c1-11-5-7-12(8-6-11)18-15(20)13-10-17-14-4-2-3-9-19(14)16(13)21/h2-10H,1H3,(H,18,20)
InChIKey
BIUADCNDPUDZOM-UHFFFAOYSA-N
Compound name
N-(4-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

279.10077 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10805 162.7
[M+Na]+ 302.08999 178.4
[M+NH4]+ 297.13459 170.3
[M+K]+ 318.06393 170.8
[M-H]- 278.09349 167.0
[M+Na-2H]- 300.07544 172.0
[M]+ 279.10022 166.2
[M]- 279.10132 166.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.