CID 3071940

139339-10-9

Structural Information

Molecular Formula
C18H16N4O
SMILES
CC(C)N1C=NC2=C1C(=O)N(C3=C2C=CC=N3)C4=CC=CC=C4
InChI
InChI=1S/C18H16N4O/c1-12(2)21-11-20-15-14-9-6-10-19-17(14)22(18(23)16(15)21)13-7-4-3-5-8-13/h3-12H,1-2H3
InChIKey
IVFZIPBPUJKWHP-UHFFFAOYSA-N
Compound name
5-phenyl-3-propan-2-ylimidazo[4,5-c][1,8]naphthyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

304.13242 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13970 170.8
[M+Na]+ 327.12164 188.6
[M+NH4]+ 322.16624 178.8
[M+K]+ 343.09558 182.0
[M-H]- 303.12514 174.5
[M+Na-2H]- 325.10709 179.5
[M]+ 304.13187 174.6
[M]- 304.13297 174.6
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