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

7
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 172.9
[M+Na]+ 327.12164 184.9
[M-H]- 303.12514 177.3
[M+NH4]+ 322.16624 186.4
[M+K]+ 343.09558 178.0
[M+H-H2O]+ 287.12968 162.3
[M+HCOO]- 349.13062 191.3
[M+CH3COO]- 363.14627 184.2
[M+Na-2H]- 325.10709 178.4
[M]+ 304.13187 176.5
[M]- 304.13297 176.5
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