CID 435037

Nsc363251

Structural Information

Molecular Formula
C16H23N3O
SMILES
CCCCN(CCCC)C1=CC(=O)N=C2N1C=CC=C2
InChI
InChI=1S/C16H23N3O/c1-3-5-10-18(11-6-4-2)16-13-15(20)17-14-9-7-8-12-19(14)16/h7-9,12-13H,3-6,10-11H2,1-2H3
InChIKey
KDKKWYYSKASECB-UHFFFAOYSA-N
Compound name
4-(dibutylamino)pyrido[1,2-a]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1841 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.19138 166.0
[M+Na]+ 296.17332 173.1
[M-H]- 272.17682 168.6
[M+NH4]+ 291.21792 181.2
[M+K]+ 312.14726 169.5
[M+H-H2O]+ 256.18136 156.6
[M+HCOO]- 318.18230 187.3
[M+CH3COO]- 332.19795 206.9
[M+Na-2H]- 294.15877 171.9
[M]+ 273.18355 170.1
[M]- 273.18465 170.1
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.