CID 11851317

2-(5-bromo-1h-indol-3-yl)-1h-phenanthro[9,10-d]imidazole

Structural Information

Molecular Formula
C23H14BrN3
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2NC(=N4)C5=CNC6=C5C=C(C=C6)Br
InChI
InChI=1S/C23H14BrN3/c24-13-9-10-20-18(11-13)19(12-25-20)23-26-21-16-7-3-1-5-14(16)15-6-2-4-8-17(15)22(21)27-23/h1-12,25H,(H,26,27)
InChIKey
XFVVNPCUAYGFFE-UHFFFAOYSA-N
Compound name
2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

411.0371 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.04438 193.1
[M+Na]+ 434.02632 208.7
[M-H]- 410.02982 201.8
[M+NH4]+ 429.07092 210.0
[M+K]+ 450.00026 193.5
[M+H-H2O]+ 394.03436 191.7
[M+HCOO]- 456.03530 209.7
[M+CH3COO]- 470.05095 205.4
[M+Na-2H]- 432.01177 199.4
[M]+ 411.03655 213.7
[M]- 411.03765 213.7
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