CID 15959146

Chembl213057

Structural Information

Molecular Formula
C17H13Cl3N2O
SMILES
C1CN2C(=N1)C3=CC(=C(C=C3C2(CC4=CC=CC=C4Cl)O)Cl)Cl
InChI
InChI=1S/C17H13Cl3N2O/c18-13-4-2-1-3-10(13)9-17(23)12-8-15(20)14(19)7-11(12)16-21-5-6-22(16)17/h1-4,7-8,23H,5-6,9H2
InChIKey
CNMJEZRTSITUHZ-UHFFFAOYSA-N
Compound name
7,8-dichloro-5-[(2-chlorophenyl)methyl]-2,3-dihydroimidazo[1,2-b]isoindol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.00934 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.01662 182.8
[M+Na]+ 388.99856 195.5
[M-H]- 365.00206 186.3
[M+NH4]+ 384.04316 201.1
[M+K]+ 404.97250 186.7
[M+H-H2O]+ 349.00660 175.8
[M+HCOO]- 411.00754 186.5
[M+CH3COO]- 425.02319 192.9
[M+Na-2H]- 386.98401 182.4
[M]+ 366.00879 186.7
[M]- 366.00989 186.7
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.