CID 3049795

6h-imidazo(4,5,1-ij)quinolin-6-one, 4,5-dihydro-2-benzyl-, monohydrochloride

Structural Information

Molecular Formula
C17H14N2O
SMILES
C1CN2C(=NC3=CC=CC(=C32)C1=O)CC4=CC=CC=C4
InChI
InChI=1S/C17H14N2O/c20-15-9-10-19-16(11-12-5-2-1-3-6-12)18-14-8-4-7-13(15)17(14)19/h1-8H,9-11H2
InChIKey
NIPOULLMVGJSCB-UHFFFAOYSA-N
Compound name
2-benzyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.11063 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.117906 159.3
[M+Na]+ 285.099848 169.2
[M-H]- 261.103354 164.8
[M+NH4]+ 280.144453 177.3
[M+K]+ 301.073788 163.1
[M+H-H2O]+ 245.107890 150.1
[M+HCOO]- 307.108831 179.3
[M+CH3COO]- 321.124481 171.5
[M+Na-2H]- 283.085296 165.8
[M]+ 262.11008142 160.8
[M]- 262.11117858 160.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.