CID 15959142

Chembl207179

Structural Information

Molecular Formula
C21H18N2O
SMILES
C1CN2C(=N1)C3=CC=CC=C3C2(CC4=CC5=CC=CC=C5C=C4)O
InChI
InChI=1S/C21H18N2O/c24-21(14-15-9-10-16-5-1-2-6-17(16)13-15)19-8-4-3-7-18(19)20-22-11-12-23(20)21/h1-10,13,24H,11-12,14H2
InChIKey
JIGOCDKMDIRWKU-UHFFFAOYSA-N
Compound name
5-(naphthalen-2-ylmethyl)-2,3-dihydroimidazo[1,2-b]isoindol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

314.1419 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.14918 175.0
[M+Na]+ 337.13112 184.8
[M-H]- 313.13462 181.2
[M+NH4]+ 332.17572 194.6
[M+K]+ 353.10506 177.1
[M+H-H2O]+ 297.13916 165.9
[M+HCOO]- 359.14010 192.5
[M+CH3COO]- 373.15575 186.0
[M+Na-2H]- 335.11657 178.8
[M]+ 314.14135 175.0
[M]- 314.14245 175.0
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.