CID 56455

4-(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=C(C=C4)C5=NC6=CC=CC=C6N5
InChI
InChI=1S/C29H22N4/c1-19-10-12-20(13-11-19)28-24(23-6-2-3-7-25(23)31-28)18-30-22-16-14-21(15-17-22)29-32-26-8-4-5-9-27(26)33-29/h2-18,31H,1H3,(H,32,33)
InChIKey
VKJHTPPHJXPNJD-UHFFFAOYSA-N
Compound name
N-[4-(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 203.4
[M+Na]+ 449.17367 213.6
[M-H]- 425.17717 214.3
[M+NH4]+ 444.21827 213.3
[M+K]+ 465.14761 202.3
[M+H-H2O]+ 409.18171 191.7
[M+HCOO]- 471.18265 224.2
[M+CH3COO]- 485.19830 212.6
[M+Na-2H]- 447.15912 205.9
[M]+ 426.18390 204.4
[M]- 426.18500 204.4
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.