CID 56448

2-(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=C4C5=NC6=CC=CC=C6N5
InChI
InChI=1S/C29H22N4O/c1-34-20-16-14-19(15-17-20)28-23(21-8-2-5-11-25(21)31-28)18-30-24-10-4-3-9-22(24)29-32-26-12-6-7-13-27(26)33-29/h2-18,31H,1H3,(H,32,33)
InChIKey
RIOVXLNYSMBMJM-UHFFFAOYSA-N
Compound name
N-[2-(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 205.9
[M+Na]+ 465.16857 215.7
[M-H]- 441.17207 216.9
[M+NH4]+ 460.21317 215.0
[M+K]+ 481.14251 205.3
[M+H-H2O]+ 425.17661 194.1
[M+HCOO]- 487.17755 226.8
[M+CH3COO]- 501.19320 214.9
[M+Na-2H]- 463.15402 208.6
[M]+ 442.17880 208.1
[M]- 442.17990 208.1
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.