CID 117897

26942-57-4

Structural Information

Molecular Formula
C18H14N2O2
SMILES
CC1=CC=C(C=C1)C(=O)C=NC2=C3C=CC=NC3=C(C=C2)O
InChI
InChI=1S/C18H14N2O2/c1-12-4-6-13(7-5-12)17(22)11-20-15-8-9-16(21)18-14(15)3-2-10-19-18/h2-11,21H,1H3
InChIKey
OLRLYEDWHXAVAL-UHFFFAOYSA-N
Compound name
2-(8-hydroxyquinolin-5-yl)imino-1-(4-methylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

290.10553 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11281 166.6
[M+Na]+ 313.09475 174.9
[M-H]- 289.09825 173.1
[M+NH4]+ 308.13935 181.3
[M+K]+ 329.06869 169.6
[M+H-H2O]+ 273.10279 157.4
[M+HCOO]- 335.10373 188.8
[M+CH3COO]- 349.11938 205.5
[M+Na-2H]- 311.08020 172.8
[M]+ 290.10498 167.4
[M]- 290.10608 167.4
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