CID 15959141

Chembl70227

Structural Information

Molecular Formula
C20H22N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)CC2(C3=CC=CC=C3C4=NCCN42)O
InChI
InChI=1S/C20H22N2O4/c1-24-16-10-13(11-17(25-2)18(16)26-3)12-20(23)15-7-5-4-6-14(15)19-21-8-9-22(19)20/h4-7,10-11,23H,8-9,12H2,1-3H3
InChIKey
AXWBXWNUVRFQLH-UHFFFAOYSA-N
Compound name
5-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroimidazo[1,2-b]isoindol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

354.15796 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.16524 183.4
[M+Na]+ 377.14718 193.3
[M-H]- 353.15068 189.2
[M+NH4]+ 372.19178 201.0
[M+K]+ 393.12112 188.9
[M+H-H2O]+ 337.15522 175.6
[M+HCOO]- 399.15616 201.9
[M+CH3COO]- 413.17181 194.5
[M+Na-2H]- 375.13263 184.9
[M]+ 354.15741 189.4
[M]- 354.15851 189.4
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.