CID 56452

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

Structural Information

Molecular Formula
C29H22N4O
SMILES
COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C=NC4=CC=CC(=C4)C5=NC6=CC=CC=C6N5
InChI
InChI=1S/C29H22N4O/c1-34-22-15-13-19(14-16-22)28-24(23-9-2-3-10-25(23)31-28)18-30-21-8-6-7-20(17-21)29-32-26-11-4-5-12-27(26)33-29/h2-18,31H,1H3,(H,32,33)
InChIKey
YXTFFXIYFQTQQR-UHFFFAOYSA-N
Compound name
N-[3-(1H-benzimidazol-2-yl)phenyl]-1-[2-(4-methoxyphenyl)-1H-indol-3-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.17935 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.18663 210.3
[M+Na]+ 465.16857 229.3
[M+NH4]+ 460.21317 218.4
[M+K]+ 481.14251 221.5
[M-H]- 441.17207 219.3
[M+Na-2H]- 463.15402 222.2
[M]+ 442.17880 215.9
[M]- 442.17990 215.9
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.