CID 179268

Nortopsentin a

Structural Information

Molecular Formula
C19H12Br2N4
SMILES
C1=CC2=C(C=C1Br)NC=C2C3=CN=C(N3)C4=CNC5=C4C=CC(=C5)Br
InChI
InChI=1S/C19H12Br2N4/c20-10-1-3-12-14(7-22-16(12)5-10)18-9-24-19(25-18)15-8-23-17-6-11(21)2-4-13(15)17/h1-9,22-23H,(H,24,25)
InChIKey
BIGUXWQKCPFOAH-UHFFFAOYSA-N
Compound name
6-bromo-3-[2-(6-bromo-1H-indol-3-yl)-1H-imidazol-5-yl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

39
Patents

453.94287 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.95015 179.0
[M+Na]+ 476.93209 191.9
[M-H]- 452.93559 187.6
[M+NH4]+ 471.97669 193.7
[M+K]+ 492.90603 176.5
[M+H-H2O]+ 436.94013 187.7
[M+HCOO]- 498.94107 192.2
[M+CH3COO]- 512.95672 190.8
[M+Na-2H]- 474.91754 181.4
[M]+ 453.94232 212.5
[M]- 453.94342 212.5
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

patents stripe