CID 395625

Nsc700410

Structural Information

Molecular Formula
C20H13ClN2O
SMILES
C1=CC=C2C(=C1)C3=NC4=CC=CC=C4N3C2(C5=CC=C(C=C5)Cl)O
InChI
InChI=1S/C20H13ClN2O/c21-14-11-9-13(10-12-14)20(24)16-6-2-1-5-15(16)19-22-17-7-3-4-8-18(17)23(19)20/h1-12,24H
InChIKey
KZVAORHWOZQQCC-UHFFFAOYSA-N
Compound name
11-(4-chlorophenyl)isoindolo[2,3-a]benzimidazol-11-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.07166 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.07894 177.4
[M+Na]+ 355.06088 191.3
[M-H]- 331.06438 184.6
[M+NH4]+ 350.10548 197.6
[M+K]+ 371.03482 182.3
[M+H-H2O]+ 315.06892 169.0
[M+HCOO]- 377.06986 193.4
[M+CH3COO]- 391.08551 189.7
[M+Na-2H]- 353.04633 182.4
[M]+ 332.07111 182.6
[M]- 332.07221 182.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.