CID 15959148

Chembl379640

Structural Information

Molecular Formula
C18H16Cl2N2O2
SMILES
COC1=CC=C(C=C1)CC2(C3=CC(=C(C=C3C4=NCCN42)Cl)Cl)O
InChI
InChI=1S/C18H16Cl2N2O2/c1-24-12-4-2-11(3-5-12)10-18(23)14-9-16(20)15(19)8-13(14)17-21-6-7-22(17)18/h2-5,8-9,23H,6-7,10H2,1H3
InChIKey
MLOBESGUWPLLDG-UHFFFAOYSA-N
Compound name
7,8-dichloro-5-[(4-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,2-b]isoindol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.05887 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.06615 183.2
[M+Na]+ 385.04809 195.5
[M-H]- 361.05159 188.1
[M+NH4]+ 380.09269 201.8
[M+K]+ 401.02203 187.6
[M+H-H2O]+ 345.05613 176.1
[M+HCOO]- 407.05707 192.3
[M+CH3COO]- 421.07272 194.1
[M+Na-2H]- 383.03354 183.8
[M]+ 362.05832 188.8
[M]- 362.05942 188.8
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.