CID 15959149

3h-imidazo[2,1-a]isoindol-5-ol, 2,5-dihydro-5-[(2,4-dichlorophenyl)methyl]-7,8-dichloro-

Structural Information

Molecular Formula
C17H12Cl4N2O
SMILES
C1CN2C(=N1)C3=CC(=C(C=C3C2(CC4=C(C=C(C=C4)Cl)Cl)O)Cl)Cl
InChI
InChI=1S/C17H12Cl4N2O/c18-10-2-1-9(13(19)5-10)8-17(24)12-7-15(21)14(20)6-11(12)16-22-3-4-23(16)17/h1-2,5-7,24H,3-4,8H2
InChIKey
ZWIXIAIJPWDNPF-UHFFFAOYSA-N
Compound name
7,8-dichloro-5-[(2,4-dichlorophenyl)methyl]-2,3-dihydroimidazo[1,2-b]isoindol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

399.97037 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.97765 189.2
[M+Na]+ 422.95959 201.9
[M-H]- 398.96309 191.0
[M+NH4]+ 418.00419 205.8
[M+K]+ 438.93353 193.4
[M+H-H2O]+ 382.96763 182.5
[M+HCOO]- 444.96857 187.3
[M+CH3COO]- 458.98422 197.9
[M+Na-2H]- 420.94504 186.8
[M]+ 399.96982 192.4
[M]- 399.97092 192.4
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.