CID 395627

Nsc700411

Structural Information

Molecular Formula
C20H13ClN2
SMILES
C1=CC=C2C(=C1)C(N3C2=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C20H13ClN2/c21-14-11-9-13(10-12-14)19-15-5-1-2-6-16(15)20-22-17-7-3-4-8-18(17)23(19)20/h1-12,19H
InChIKey
QQMROAIERMNMSO-UHFFFAOYSA-N
Compound name
11-(4-chlorophenyl)-11H-isoindolo[2,1-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.07672 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.08400 174.5
[M+Na]+ 339.06594 187.9
[M-H]- 315.06944 182.5
[M+NH4]+ 334.11054 194.0
[M+K]+ 355.03988 178.9
[M+H-H2O]+ 299.07398 165.9
[M+HCOO]- 361.07492 191.6
[M+CH3COO]- 375.09057 187.1
[M+Na-2H]- 337.05139 178.6
[M]+ 316.07617 179.6
[M]- 316.07727 179.6
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.