CID 79500

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

Structural Information

Molecular Formula
C8H8N2O
SMILES
C1CN2C=CC=CC2=NC1=O
InChI
InChI=1S/C8H8N2O/c11-8-4-6-10-5-2-1-3-7(10)9-8/h1-3,5H,4,6H2
InChIKey
XQIOBBHIEUGFCI-UHFFFAOYSA-N
Compound name
3,4-dihydropyrido[1,2-a]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

155
Patents

148.06366 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.070936 127.8
[M+Na]+ 171.052878 136.3
[M-H]- 147.056384 129.4
[M+NH4]+ 166.097483 147.4
[M+K]+ 187.026818 133.9
[M+H-H2O]+ 131.060920 120.5
[M+HCOO]- 193.061861 147.5
[M+CH3COO]- 207.077511 141.1
[M+Na-2H]- 169.038326 137.2
[M]+ 148.06311142 125.4
[M]- 148.06420858 125.4
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