CID 1204835

2-chloro-3-nitro-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C8H4ClN3O3
SMILES
C1=CC2=NC(=C(C(=O)N2C=C1)[N+](=O)[O-])Cl
InChI
InChI=1S/C8H4ClN3O3/c9-7-6(12(14)15)8(13)11-4-2-1-3-5(11)10-7/h1-4H
InChIKey
HRMUOPNLPLATOR-UHFFFAOYSA-N
Compound name
2-chloro-3-nitropyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.99413 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.001406 139.6
[M+Na]+ 247.983348 150.6
[M-H]- 223.986854 142.2
[M+NH4]+ 243.027953 156.4
[M+K]+ 263.957288 142.7
[M+H-H2O]+ 207.991390 137.6
[M+HCOO]- 269.992331 158.5
[M+CH3COO]- 284.007981 181.0
[M+Na-2H]- 245.968796 150.4
[M]+ 224.99358142 141.5
[M]- 224.99467858 141.5
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.