CID 105434

6-bromo-4-methyl-1-phenyl-3h-naphtho[1,2,3-de]quinoline-2,7-dione

Structural Information

Molecular Formula
C23H14BrNO2
SMILES
CC1=CC(=C2C3=C1NC(=O)C(=C3C4=CC=CC=C4C2=O)C5=CC=CC=C5)Br
InChI
InChI=1S/C23H14BrNO2/c1-12-11-16(24)19-20-18(14-9-5-6-10-15(14)22(19)26)17(23(27)25-21(12)20)13-7-3-2-4-8-13/h2-11H,1H3,(H,25,27)
InChIKey
NGLCGJZEUKMFNH-UHFFFAOYSA-N
Compound name
10-bromo-12-methyl-16-phenyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

415.02078 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.02806 194.1
[M+Na]+ 438.01000 206.7
[M-H]- 414.01350 202.8
[M+NH4]+ 433.05460 209.4
[M+K]+ 453.98394 192.9
[M+H-H2O]+ 398.01804 190.8
[M+HCOO]- 460.01898 207.9
[M+CH3COO]- 474.03463 205.4
[M+Na-2H]- 435.99545 199.9
[M]+ 415.02023 213.1
[M]- 415.02133 213.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe