CID 15959135

Chembl66573

Structural Information

Molecular Formula
C17H16N2O
SMILES
C1CN2C(=N1)C3=CC=CC=C3C2(CC4=CC=CC=C4)O
InChI
InChI=1S/C17H16N2O/c20-17(12-13-6-2-1-3-7-13)15-9-5-4-8-14(15)16-18-10-11-19(16)17/h1-9,20H,10-12H2
InChIKey
JHQIKKOEJLQAHC-UHFFFAOYSA-N
Compound name
5-benzyl-2,3-dihydroimidazo[1,2-b]isoindol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

264.12625 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.133526 161.2
[M+Na]+ 287.115468 170.7
[M-H]- 263.118974 166.5
[M+NH4]+ 282.160073 182.0
[M+K]+ 303.089408 164.7
[M+H-H2O]+ 247.123510 153.1
[M+HCOO]- 309.124451 180.6
[M+CH3COO]- 323.140101 173.2
[M+Na-2H]- 285.100916 165.7
[M]+ 264.12570142 160.9
[M]- 264.12679858 160.9
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.