CID 456386

Nortopsentin c

Structural Information

Molecular Formula
C19H13BrN4
SMILES
C1=CC=C2C(=C1)C(=CN2)C3=NC=C(N3)C4=CNC5=C4C=CC(=C5)Br
InChI
InChI=1S/C19H13BrN4/c20-11-5-6-13-14(8-22-17(13)7-11)18-10-23-19(24-18)15-9-21-16-4-2-1-3-12(15)16/h1-10,21-22H,(H,23,24)
InChIKey
OWBTWZBJRVBXIC-UHFFFAOYSA-N
Compound name
6-bromo-3-[2-(1H-indol-3-yl)-1H-imidazol-5-yl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

36
Patents

376.03235 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.03963 179.7
[M+Na]+ 399.02157 194.3
[M-H]- 375.02507 188.0
[M+NH4]+ 394.06617 196.1
[M+K]+ 414.99551 179.9
[M+H-H2O]+ 359.02961 179.1
[M+HCOO]- 421.03055 197.1
[M+CH3COO]- 435.04620 192.4
[M+Na-2H]- 397.00702 182.4
[M]+ 376.03180 198.0
[M]- 376.03290 198.0
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