CID 3079289

4h-pyrido(1,2-a)pyrimidine-3-carboxamide, n-(4-chlorophenyl)-6-methyl-4-oxo-

Structural Information

Molecular Formula
C16H12ClN3O2
SMILES
CC1=CC=CC2=NC=C(C(=O)N12)C(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H12ClN3O2/c1-10-3-2-4-14-18-9-13(16(22)20(10)14)15(21)19-12-7-5-11(17)6-8-12/h2-9H,1H3,(H,19,21)
InChIKey
UWHIVRRFTURTDS-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

313.0618 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.06908 169.1
[M+Na]+ 336.05102 179.9
[M-H]- 312.05452 174.6
[M+NH4]+ 331.09562 182.7
[M+K]+ 352.02496 173.4
[M+H-H2O]+ 296.05906 160.1
[M+HCOO]- 358.06000 185.9
[M+CH3COO]- 372.07565 180.6
[M+Na-2H]- 334.03647 175.2
[M]+ 313.06125 172.4
[M]- 313.06235 172.4
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