CID 105434

67499-52-9

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 187.1
[M+Na]+ 438.01000 196.3
[M+NH4]+ 433.05460 193.0
[M+K]+ 453.98394 192.1
[M-H]- 414.01350 191.3
[M+Na-2H]- 435.99545 191.4
[M]+ 415.02023 188.9
[M]- 415.02133 188.9
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