CID 5276286

1-benzyl-3-iodo-2-methoxy-quinolin-4-one

Structural Information

Molecular Formula
C17H14INO2
SMILES
COC1=C(C(=O)C2=CC=CC=C2N1CC3=CC=CC=C3)I
InChI
InChI=1S/C17H14INO2/c1-21-17-15(18)16(20)13-9-5-6-10-14(13)19(17)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKey
DKDOQUKUONZAIN-UHFFFAOYSA-N
Compound name
1-benzyl-3-iodo-2-methoxyquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.00693 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.01421 168.5
[M+Na]+ 413.99615 171.4
[M-H]- 389.99965 167.6
[M+NH4]+ 409.04075 179.3
[M+K]+ 429.97009 172.2
[M+H-H2O]+ 374.00419 156.0
[M+HCOO]- 436.00513 185.3
[M+CH3COO]- 450.02078 176.5
[M+Na-2H]- 411.98160 163.2
[M]+ 391.00638 168.5
[M]- 391.00748 168.5
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.