CID 11697676

Pf-00217830

Structural Information

Molecular Formula
C26H30N4O2
SMILES
C1CC(=O)NC2=C1C=CC(=N2)OCCCCN3CCN(CC3)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C26H30N4O2/c31-24-12-10-21-11-13-25(28-26(21)27-24)32-19-4-3-14-29-15-17-30(18-16-29)23-9-5-7-20-6-1-2-8-22(20)23/h1-2,5-9,11,13H,3-4,10,12,14-19H2,(H,27,28,31)
InChIKey
QGNOXTFZOLDODX-UHFFFAOYSA-N
Compound name
7-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

73
Patents

430.23688 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.24416 208.7
[M+Na]+ 453.22610 211.5
[M-H]- 429.22960 210.6
[M+NH4]+ 448.27070 212.5
[M+K]+ 469.20004 202.6
[M+H-H2O]+ 413.23414 193.7
[M+HCOO]- 475.23508 215.3
[M+CH3COO]- 489.25073 212.7
[M+Na-2H]- 451.21155 210.0
[M]+ 430.23633 202.4
[M]- 430.23743 202.4
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