CID 15959136

Chembl207335

Structural Information

Molecular Formula
C17H15ClN2O
SMILES
C1CN2C(=N1)C3=CC=CC=C3C2(CC4=CC=CC=C4Cl)O
InChI
InChI=1S/C17H15ClN2O/c18-15-8-4-1-5-12(15)11-17(21)14-7-3-2-6-13(14)16-19-9-10-20(16)17/h1-8,21H,9-11H2
InChIKey
FIYKXALWENHXFV-UHFFFAOYSA-N
Compound name
5-[(2-chlorophenyl)methyl]-2,3-dihydroimidazo[1,2-b]isoindol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

298.08728 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09456 169.3
[M+Na]+ 321.07650 180.3
[M-H]- 297.08000 174.5
[M+NH4]+ 316.12110 189.7
[M+K]+ 337.05044 172.7
[M+H-H2O]+ 281.08454 161.5
[M+HCOO]- 343.08548 183.8
[M+CH3COO]- 357.10113 181.0
[M+Na-2H]- 319.06195 172.3
[M]+ 298.08673 171.3
[M]- 298.08783 171.3
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.