CID 459613

Akos024433624

Structural Information

Molecular Formula
C18H14BrNO2
SMILES
COC1=CC2=C(C=C1)N=C(C=C2C(=O)CBr)C3=CC=CC=C3
InChI
InChI=1S/C18H14BrNO2/c1-22-13-7-8-16-14(9-13)15(18(21)11-19)10-17(20-16)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKey
NQPDXMPWIRORCJ-UHFFFAOYSA-N
Compound name
2-bromo-1-(6-methoxy-2-phenylquinolin-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.02078 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.02806 174.5
[M+Na]+ 378.01000 185.5
[M-H]- 354.01350 183.1
[M+NH4]+ 373.05460 190.6
[M+K]+ 393.98394 173.5
[M+H-H2O]+ 338.01804 172.3
[M+HCOO]- 400.01898 192.9
[M+CH3COO]- 414.03463 187.4
[M+Na-2H]- 375.99545 180.7
[M]+ 355.02023 195.1
[M]- 355.02133 195.1
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.