CID 56449

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

Structural Information

Molecular Formula
C28H19ClN4
SMILES
C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)Cl)C=NC4=CC=CC=C4C5=NC6=CC=CC=C6N5
InChI
InChI=1S/C28H19ClN4/c29-19-15-13-18(14-16-19)27-22(20-7-1-4-10-24(20)31-27)17-30-23-9-3-2-8-21(23)28-32-25-11-5-6-12-26(25)33-28/h1-17,31H,(H,32,33)
InChIKey
XDZWOBHUXTXNRQ-UHFFFAOYSA-N
Compound name
N-[2-(1H-benzimidazol-2-yl)phenyl]-1-[2-(4-chlorophenyl)-1H-indol-3-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.12982 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.13710 207.4
[M+Na]+ 469.11904 218.8
[M-H]- 445.12254 217.9
[M+NH4]+ 464.16364 217.3
[M+K]+ 485.09298 206.7
[M+H-H2O]+ 429.12708 195.6
[M+HCOO]- 491.12802 223.8
[M+CH3COO]- 505.14367 216.5
[M+Na-2H]- 467.10449 209.7
[M]+ 446.12927 210.6
[M]- 446.13037 210.6
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.