CID 4619927

4b-(4-chlorophenyl)-4b,5-dihydro-11h-isoindolo(2,1-a)benzimidazole

Structural Information

Molecular Formula
C20H15ClN2
SMILES
C1C2=CC=CC=C2C3(N1C4=CC=CC=C4N3)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C20H15ClN2/c21-16-11-9-15(10-12-16)20-17-6-2-1-5-14(17)13-23(20)19-8-4-3-7-18(19)22-20/h1-12,22H,13H2
InChIKey
LETTWAUYEUKYHJ-UHFFFAOYSA-N
Compound name
4b-(4-chlorophenyl)-5,11-dihydroisoindolo[2,1-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.09238 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.09966 175.7
[M+Na]+ 341.08160 187.0
[M-H]- 317.08510 181.6
[M+NH4]+ 336.12620 196.0
[M+K]+ 357.05554 177.4
[M+H-H2O]+ 301.08964 166.8
[M+HCOO]- 363.09058 188.7
[M+CH3COO]- 377.10623 186.8
[M+Na-2H]- 339.06705 179.1
[M]+ 318.09183 176.1
[M]- 318.09293 176.1
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.