CID 794779

331948-26-6

Structural Information

Molecular Formula
C15H10ClN3O2
SMILES
C1=CC=C(C(=C1)NC2=C(C(=O)N3C=CC=CC3=N2)C=O)Cl
InChI
InChI=1S/C15H10ClN3O2/c16-11-5-1-2-6-12(11)17-14-10(9-20)15(21)19-8-4-3-7-13(19)18-14/h1-9,17H
InChIKey
MXFVDRQFTYWPFW-UHFFFAOYSA-N
Compound name
2-(2-chloroanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

6
Patents

299.04614 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.05342 164.6
[M+Na]+ 322.03536 176.1
[M-H]- 298.03886 170.1
[M+NH4]+ 317.07996 178.8
[M+K]+ 338.00930 169.2
[M+H-H2O]+ 282.04340 155.6
[M+HCOO]- 344.04434 182.7
[M+CH3COO]- 358.05999 176.6
[M+Na-2H]- 320.02081 172.4
[M]+ 299.04559 168.2
[M]- 299.04669 168.2
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

patents stripe