CID 242638

Nsc54331

Structural Information

Molecular Formula
C19H14N2O
SMILES
C1=CC=C2C(=C1)C=CC(=N2)CN3C(=O)C=CC4=CC=CC=C43
InChI
InChI=1S/C19H14N2O/c22-19-12-10-15-6-2-4-8-18(15)21(19)13-16-11-9-14-5-1-3-7-17(14)20-16/h1-12H,13H2
InChIKey
FETRXQRRTNJTRX-UHFFFAOYSA-N
Compound name
1-(quinolin-2-ylmethyl)quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

286.11063 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.11791 166.2
[M+Na]+ 309.09985 177.2
[M-H]- 285.10335 172.4
[M+NH4]+ 304.14445 180.9
[M+K]+ 325.07379 169.8
[M+H-H2O]+ 269.10789 155.6
[M+HCOO]- 331.10883 187.0
[M+CH3COO]- 345.12448 178.0
[M+Na-2H]- 307.08530 176.3
[M]+ 286.11008 168.2
[M]- 286.11118 168.2
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

patents stripe