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]+ 325.15468 176.3
[M+Na]+ 347.13662 186.0
[M-H]- 323.14012 181.9
[M+NH4]+ 342.18122 194.9
[M+K]+ 363.11056 181.0
[M+H-H2O]+ 307.14466 168.3
[M+HCOO]- 369.14560 195.1
[M+CH3COO]- 383.16125 187.7
[M+Na-2H]- 345.12207 178.7
[M]+ 324.14685 180.1
[M]- 324.14795 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.