CID 370207

Nsc642951

Structural Information

Molecular Formula
C17H13NO2
SMILES
COC1=CC=CC2=C1N=C(C=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H13NO2/c1-20-15-9-5-8-12-10-11-14(18-16(12)15)17(19)13-6-3-2-4-7-13/h2-11H,1H3
InChIKey
KPIGQDOHAUTNFS-UHFFFAOYSA-N
Compound name
(8-methoxyquinolin-2-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.09464 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.101916 159.0
[M+Na]+ 286.083858 167.4
[M-H]- 262.087364 165.4
[M+NH4]+ 281.128463 174.9
[M+K]+ 302.057798 162.9
[M+H-H2O]+ 246.091900 150.1
[M+HCOO]- 308.092841 180.3
[M+CH3COO]- 322.108491 171.2
[M+Na-2H]- 284.069306 166.0
[M]+ 263.09409142 160.5
[M]- 263.09518858 160.5
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.