CID 15959140

Chembl65260

Structural Information

Molecular Formula
C19H20N2O3
SMILES
COC1=C(C=C(C=C1)CC2(C3=CC=CC=C3C4=NCCN42)O)OC
InChI
InChI=1S/C19H20N2O3/c1-23-16-8-7-13(11-17(16)24-2)12-19(22)15-6-4-3-5-14(15)18-20-9-10-21(18)19/h3-8,11,22H,9-10,12H2,1-2H3
InChIKey
BSHSGTAKAHTHMC-UHFFFAOYSA-N
Compound name
5-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydroimidazo[1,2-b]isoindol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

324.1474 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.154676 176.3
[M+Na]+ 347.136618 186.0
[M-H]- 323.140124 181.9
[M+NH4]+ 342.181223 194.9
[M+K]+ 363.110558 181.0
[M+H-H2O]+ 307.144660 168.3
[M+HCOO]- 369.145601 195.1
[M+CH3COO]- 383.161251 187.7
[M+Na-2H]- 345.122066 178.7
[M]+ 324.14685142 180.1
[M]- 324.14794858 180.1
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.