CID 3056026

Brn 0736525

Structural Information

Molecular Formula
C32H28Cl2N6
SMILES
C1CN(CCN1CN2C3=CC=CC=C3N=C2C4=CC=CC=C4Cl)CN5C6=CC=CC=C6N=C5C7=CC=CC=C7Cl
InChI
InChI=1S/C32H28Cl2N6/c33-25-11-3-1-9-23(25)31-35-27-13-5-7-15-29(27)39(31)21-37-17-19-38(20-18-37)22-40-30-16-8-6-14-28(30)36-32(40)24-10-2-4-12-26(24)34/h1-16H,17-22H2
InChIKey
NDWXAQMSGAHKDK-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-1-[[4-[[2-(2-chlorophenyl)benzimidazol-1-yl]methyl]piperazin-1-yl]methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

566.17523 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.18251 236.1
[M+Na]+ 589.16445 245.7
[M-H]- 565.16795 244.4
[M+NH4]+ 584.20905 237.7
[M+K]+ 605.13839 233.5
[M+H-H2O]+ 549.17249 218.5
[M+HCOO]- 611.17343 238.3
[M+CH3COO]- 625.18908 240.5
[M+Na-2H]- 587.14990 231.3
[M]+ 566.17468 239.1
[M]- 566.17578 239.1
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.