CID 11779217

Chembl63840

Structural Information

Molecular Formula
C18H18N2O2
SMILES
COC1=CC=C(C=C1)CC2(C3=CC=CC=C3C4=NCCN42)O
InChI
InChI=1S/C18H18N2O2/c1-22-14-8-6-13(7-9-14)12-18(21)16-5-3-2-4-15(16)17-19-10-11-20(17)18/h2-9,21H,10-12H2,1H3
InChIKey
QXHZCATXOZDHBG-UHFFFAOYSA-N
Compound name
5-[(4-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,2-b]isoindol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

294.13684 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 168.9
[M+Na]+ 317.12606 178.5
[M-H]- 293.12956 174.3
[M+NH4]+ 312.17066 188.6
[M+K]+ 333.10000 173.0
[M+H-H2O]+ 277.13410 160.8
[M+HCOO]- 339.13504 188.0
[M+CH3COO]- 353.15069 180.6
[M+Na-2H]- 315.11151 172.3
[M]+ 294.13629 170.6
[M]- 294.13739 170.6
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.