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]+ 263.11791 159.3
[M+Na]+ 285.09985 169.2
[M-H]- 261.10335 164.8
[M+NH4]+ 280.14445 177.3
[M+K]+ 301.07379 163.1
[M+H-H2O]+ 245.10789 150.1
[M+HCOO]- 307.10883 179.3
[M+CH3COO]- 321.12448 171.5
[M+Na-2H]- 283.08530 165.8
[M]+ 262.11008 160.8
[M]- 262.11118 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.