CID 3010853

7h-naphtho[1,2,3-ij][2,7]naphthyridin-7-one, 4-chloro-6a,11c-dihydro-

Structural Information

Molecular Formula
C15H9ClN2O
SMILES
C1=CC=C2C(=C1)C3=NC=CC4=C(C=NC(C43)C2=O)Cl
InChI
InChI=1S/C15H9ClN2O/c16-11-7-18-14-12-10(11)5-6-17-13(12)8-3-1-2-4-9(8)15(14)19/h1-7,12,14H
InChIKey
FESZFOOOQBFMGO-UHFFFAOYSA-N
Compound name
12-chloro-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,10,12,14-heptaen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.04034 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.04762 157.1
[M+Na]+ 291.02956 168.4
[M-H]- 267.03306 159.9
[M+NH4]+ 286.07416 175.1
[M+K]+ 307.00350 161.5
[M+H-H2O]+ 251.03760 148.5
[M+HCOO]- 313.03854 169.1
[M+CH3COO]- 327.05419 168.9
[M+Na-2H]- 289.01501 166.2
[M]+ 268.03979 159.5
[M]- 268.04089 159.5
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

No patent data available for this compound.