CID 700972

7-methyl-4-oxo-2-p-tolylamino-4h-pyrido[1,2-a]pyrimidine-3-carbaldehyde

Structural Information

Molecular Formula
C17H15N3O2
SMILES
CC1=CC=C(C=C1)NC2=C(C(=O)N3C=C(C=CC3=N2)C)C=O
InChI
InChI=1S/C17H15N3O2/c1-11-3-6-13(7-4-11)18-16-14(10-21)17(22)20-9-12(2)5-8-15(20)19-16/h3-10,18H,1-2H3
InChIKey
OKJFEQCXRZNICD-UHFFFAOYSA-N
Compound name
7-methyl-2-(4-methylanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

293.11642 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.12370 168.2
[M+Na]+ 316.10564 179.0
[M-H]- 292.10914 174.1
[M+NH4]+ 311.15024 182.0
[M+K]+ 332.07958 173.1
[M+H-H2O]+ 276.11368 158.5
[M+HCOO]- 338.11462 190.2
[M+CH3COO]- 352.13027 207.6
[M+Na-2H]- 314.09109 174.6
[M]+ 293.11587 170.6
[M]- 293.11697 170.6
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

No patent data available for this compound.