CID 16656030

181525-38-2

Structural Information

Molecular Formula
C11H12N2O3
SMILES
CC1=C(C(=O)N2C=CC=C(C2=N1)O)CCO
InChI
InChI=1S/C11H12N2O3/c1-7-8(4-6-14)11(16)13-5-2-3-9(15)10(13)12-7/h2-3,5,14-15H,4,6H2,1H3
InChIKey
GNJWAVGJDQQQSS-UHFFFAOYSA-N
Compound name
9-hydroxy-3-(2-hydroxyethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

42
Patents

220.0848 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.092076 146.6
[M+Na]+ 243.074018 157.6
[M-H]- 219.077524 146.8
[M+NH4]+ 238.118623 162.8
[M+K]+ 259.047958 153.3
[M+H-H2O]+ 203.082060 139.7
[M+HCOO]- 265.083001 165.5
[M+CH3COO]- 279.098651 185.3
[M+Na-2H]- 241.059466 153.2
[M]+ 220.08425142 148.5
[M]- 220.08534858 148.5
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