CID 5493660

3-phenyl-7-piperazin-1-yl-[1,8]naphthyridin-2-ol

Structural Information

Molecular Formula
C18H18N4O
SMILES
C1CN(CCN1)C2=NC3=C(C=C2)C=C(C(=O)N3)C4=CC=CC=C4
InChI
InChI=1S/C18H18N4O/c23-18-15(13-4-2-1-3-5-13)12-14-6-7-16(20-17(14)21-18)22-10-8-19-9-11-22/h1-7,12,19H,8-11H2,(H,20,21,23)
InChIKey
KRZJISJCTBWBLL-UHFFFAOYSA-N
Compound name
3-phenyl-7-piperazin-1-yl-1H-1,8-naphthyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.14807 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.15535 174.6
[M+Na]+ 329.13729 181.1
[M-H]- 305.14079 176.2
[M+NH4]+ 324.18189 182.5
[M+K]+ 345.11123 172.4
[M+H-H2O]+ 289.14533 162.5
[M+HCOO]- 351.14627 185.9
[M+CH3COO]- 365.16192 182.1
[M+Na-2H]- 327.12274 179.8
[M]+ 306.14752 166.8
[M]- 306.14862 166.8
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

No patent data available for this compound.