CID 56450

3-(1h-benzimidazol-2-yl)-n-((2-phenyl-1h-indol-3-yl)methylene)benzenamine

Structural Information

Molecular Formula
C28H20N4
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C=NC4=CC=CC(=C4)C5=NC6=CC=CC=C6N5
InChI
InChI=1S/C28H20N4/c1-2-9-19(10-3-1)27-23(22-13-4-5-14-24(22)30-27)18-29-21-12-8-11-20(17-21)28-31-25-15-6-7-16-26(25)32-28/h1-18,30H,(H,31,32)
InChIKey
ZARQBINSVMHGFX-UHFFFAOYSA-N
Compound name
N-[3-(1H-benzimidazol-2-yl)phenyl]-1-(2-phenyl-1H-indol-3-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.1688 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.17608 197.3
[M+Na]+ 435.15802 207.2
[M-H]- 411.16152 208.1
[M+NH4]+ 430.20262 207.5
[M+K]+ 451.13196 196.1
[M+H-H2O]+ 395.16606 185.7
[M+HCOO]- 457.16700 218.5
[M+CH3COO]- 471.18265 206.8
[M+Na-2H]- 433.14347 201.3
[M]+ 412.16825 197.7
[M]- 412.16935 197.7
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

No patent data available for this compound.