CID 390352

Nsc687688

Structural Information

Molecular Formula
C15H19N3O2
SMILES
CC1=CN2C(=NC(=CC2=O)CN3CCCC(C3)O)C=C1
InChI
InChI=1S/C15H19N3O2/c1-11-4-5-14-16-12(7-15(20)18(14)8-11)9-17-6-2-3-13(19)10-17/h4-5,7-8,13,19H,2-3,6,9-10H2,1H3
InChIKey
UKWHHNKISXDEJY-UHFFFAOYSA-N
Compound name
2-[(3-hydroxypiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.14774 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.15502 165.4
[M+Na]+ 296.13696 173.3
[M-H]- 272.14046 167.3
[M+NH4]+ 291.18156 177.9
[M+K]+ 312.11090 167.9
[M+H-H2O]+ 256.14500 155.5
[M+HCOO]- 318.14594 179.7
[M+CH3COO]- 332.16159 175.2
[M+Na-2H]- 294.12241 169.5
[M]+ 273.14719 162.6
[M]- 273.14829 162.6
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.