CID 56451

3-(1h-benzimidazol-2-yl)-n-((2-(4-methylphenyl)-1h-indol-3-yl)methylene)benzenamine

Structural Information

Molecular Formula
C29H22N4
SMILES
CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C=NC4=CC=CC(=C4)C5=NC6=CC=CC=C6N5
InChI
InChI=1S/C29H22N4/c1-19-13-15-20(16-14-19)28-24(23-9-2-3-10-25(23)31-28)18-30-22-8-6-7-21(17-22)29-32-26-11-4-5-12-27(26)33-29/h2-18,31H,1H3,(H,32,33)
InChIKey
XEELPEQDEHHVBT-UHFFFAOYSA-N
Compound name
N-[3-(1H-benzimidazol-2-yl)phenyl]-1-[2-(4-methylphenyl)-1H-indol-3-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.18445 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.19173 206.9
[M+Na]+ 449.17367 226.4
[M+NH4]+ 444.21827 215.6
[M+K]+ 465.14761 218.0
[M-H]- 425.17717 216.3
[M+Na-2H]- 447.15912 219.2
[M]+ 426.18390 212.7
[M]- 426.18500 212.7
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.