CID 3010851

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

Structural Information

Molecular Formula
C15H9BrN2O
SMILES
C1=CC=C2C(=C1)C3=NC=CC4=C(C=NC(C43)C2=O)Br
InChI
InChI=1S/C15H9BrN2O/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
HTVLDGDNEHTPBT-UHFFFAOYSA-N
Compound name
12-bromo-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

311.98984 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.99712 162.6
[M+Na]+ 334.97906 175.2
[M-H]- 310.98256 168.1
[M+NH4]+ 330.02366 181.6
[M+K]+ 350.95300 162.9
[M+H-H2O]+ 294.98710 160.7
[M+HCOO]- 356.98804 177.1
[M+CH3COO]- 371.00369 175.7
[M+Na-2H]- 332.96451 172.6
[M]+ 311.98929 181.2
[M]- 311.99039 181.2
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.