CID 3071975

4h-imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-5-butyl-3-methyl-

Structural Information

Molecular Formula
C14H16N4O
SMILES
CCCCN1C2=C(C=CC=N2)C3=C(C1=O)N(C=N3)C
InChI
InChI=1S/C14H16N4O/c1-3-4-8-18-13-10(6-5-7-15-13)11-12(14(18)19)17(2)9-16-11/h5-7,9H,3-4,8H2,1-2H3
InChIKey
XWCPJDLITHFYQE-UHFFFAOYSA-N
Compound name
5-butyl-3-methylimidazo[4,5-c][1,8]naphthyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

256.13242 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.13970 159.1
[M+Na]+ 279.12164 175.1
[M+NH4]+ 274.16624 166.6
[M+K]+ 295.09558 169.0
[M-H]- 255.12514 160.1
[M+Na-2H]- 277.10709 164.9
[M]+ 256.13187 161.7
[M]- 256.13297 161.7
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