CID 723065

2-(2-methoxyanilino)-9-methyl-4-oxo-4h-pyrido[1,2-a]pyrimidine-3-carbaldehyde

Structural Information

Molecular Formula
C17H15N3O3
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)C=O)NC3=CC=CC=C3OC
InChI
InChI=1S/C17H15N3O3/c1-11-6-5-9-20-16(11)19-15(12(10-21)17(20)22)18-13-7-3-4-8-14(13)23-2/h3-10,18H,1-2H3
InChIKey
JRBANGPVGWEJMV-UHFFFAOYSA-N
Compound name
2-(2-methoxyanilino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.11133 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11861 171.1
[M+Na]+ 332.10055 181.6
[M-H]- 308.10405 177.0
[M+NH4]+ 327.14515 184.1
[M+K]+ 348.07449 176.5
[M+H-H2O]+ 292.10859 161.1
[M+HCOO]- 354.10953 193.3
[M+CH3COO]- 368.12518 209.8
[M+Na-2H]- 330.08600 177.6
[M]+ 309.11078 174.9
[M]- 309.11188 174.9
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.