CID 177799096

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

Structural Information

Molecular Formula
C8H5IN2O
SMILES
C1=CC2=NC=C(C(=O)N2C=C1)I
InChI
InChI=1S/C8H5IN2O/c9-6-5-10-7-3-1-2-4-11(7)8(6)12/h1-5H
InChIKey
FEJNJLJZMYEHKO-UHFFFAOYSA-N
Compound name
3-iodopyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.94467 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.951946 131.5
[M+Na]+ 294.933888 135.5
[M-H]- 270.937394 126.9
[M+NH4]+ 289.978493 145.9
[M+K]+ 310.907828 138.2
[M+H-H2O]+ 254.941930 120.9
[M+HCOO]- 316.942871 148.9
[M+CH3COO]- 330.958521 141.6
[M+Na-2H]- 292.919336 130.2
[M]+ 271.94412142 129.9
[M]- 271.94521858 129.9
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.