CID 15959138

Chembl208338

Structural Information

Molecular Formula
C17H14Cl2N2O
SMILES
C1CN2C(=N1)C3=CC=CC=C3C2(CC4=CC(=C(C=C4)Cl)Cl)O
InChI
InChI=1S/C17H14Cl2N2O/c18-14-6-5-11(9-15(14)19)10-17(22)13-4-2-1-3-12(13)16-20-7-8-21(16)17/h1-6,9,22H,7-8,10H2
InChIKey
NNHAHXAKPHFATD-UHFFFAOYSA-N
Compound name
5-[(3,4-dichlorophenyl)methyl]-2,3-dihydroimidazo[1,2-b]isoindol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

332.0483 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.05558 176.3
[M+Na]+ 355.03752 188.5
[M-H]- 331.04102 180.9
[M+NH4]+ 350.08212 195.9
[M+K]+ 371.01146 179.9
[M+H-H2O]+ 315.04556 168.9
[M+HCOO]- 377.04650 185.6
[M+CH3COO]- 391.06215 187.4
[M+Na-2H]- 353.02297 177.8
[M]+ 332.04775 179.8
[M]- 332.04885 179.8
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.