CID 97080

9-bromoellipticine

Structural Information

Molecular Formula
C17H13BrN2
SMILES
CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)Br)C
InChI
InChI=1S/C17H13BrN2/c1-9-14-8-19-6-5-12(14)10(2)17-16(9)13-7-11(18)3-4-15(13)20-17/h3-8,20H,1-2H3
InChIKey
OSDDZVXUCKZOQA-UHFFFAOYSA-N
Compound name
9-bromo-5,11-dimethyl-6H-pyrido[4,3-b]carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

324.0262 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.03348 169.9
[M+Na]+ 347.01542 186.2
[M-H]- 323.01892 176.6
[M+NH4]+ 342.06002 190.3
[M+K]+ 362.98936 172.0
[M+H-H2O]+ 307.02346 169.2
[M+HCOO]- 369.02440 188.2
[M+CH3COO]- 383.04005 184.3
[M+Na-2H]- 345.00087 178.0
[M]+ 324.02565 191.7
[M]- 324.02675 191.7
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