CID 15959139

Chembl65846

Structural Information

Molecular Formula
C18H16N2O3
SMILES
C1CN2C(=N1)C3=CC=CC=C3C2(CC4=CC5=C(C=C4)OCO5)O
InChI
InChI=1S/C18H16N2O3/c21-18(10-12-5-6-15-16(9-12)23-11-22-15)14-4-2-1-3-13(14)17-19-7-8-20(17)18/h1-6,9,21H,7-8,10-11H2
InChIKey
AFMNHKBYDLREAC-UHFFFAOYSA-N
Compound name
5-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydroimidazo[1,2-b]isoindol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

308.1161 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.12338 166.7
[M+Na]+ 331.10532 176.7
[M-H]- 307.10882 174.6
[M+NH4]+ 326.14992 185.7
[M+K]+ 347.07926 173.8
[M+H-H2O]+ 291.11336 160.8
[M+HCOO]- 353.11430 183.3
[M+CH3COO]- 367.12995 178.9
[M+Na-2H]- 329.09077 169.3
[M]+ 308.11555 169.5
[M]- 308.11665 169.5
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.