CID 3071936

1,5-dihydro-1-ethyl-5-phenyl-4h-imidazo(4,5-c)(1,8)naphthyridin-4-one

Structural Information

Molecular Formula
C17H14N4O
SMILES
CCN1C=NC2=C1C3=C(N=CC=C3)N(C2=O)C4=CC=CC=C4
InChI
InChI=1S/C17H14N4O/c1-2-20-11-19-14-15(20)13-9-6-10-18-16(13)21(17(14)22)12-7-4-3-5-8-12/h3-11H,2H2,1H3
InChIKey
MSFJJMJJKQPLJE-UHFFFAOYSA-N
Compound name
1-ethyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

290.11676 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.12404 168.5
[M+Na]+ 313.10598 181.4
[M-H]- 289.10948 173.0
[M+NH4]+ 308.15058 182.6
[M+K]+ 329.07992 174.1
[M+H-H2O]+ 273.11402 157.9
[M+HCOO]- 335.11496 188.3
[M+CH3COO]- 349.13061 180.4
[M+Na-2H]- 311.09143 175.5
[M]+ 290.11621 172.4
[M]- 290.11731 172.4
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