CID 44531217

3-bromo-7-methoxy-2-methylquinolin-4-ol

Structural Information

Molecular Formula
C11H10BrNO2
SMILES
CC1=C(C(=O)C2=C(N1)C=C(C=C2)OC)Br
InChI
InChI=1S/C11H10BrNO2/c1-6-10(12)11(14)8-4-3-7(15-2)5-9(8)13-6/h3-5H,1-2H3,(H,13,14)
InChIKey
KUIKNYSGQSWIDU-UHFFFAOYSA-N
Compound name
3-bromo-7-methoxy-2-methyl-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.9895 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.99678 147.1
[M+Na]+ 289.97872 161.1
[M-H]- 265.98222 152.6
[M+NH4]+ 285.02332 167.2
[M+K]+ 305.95266 149.1
[M+H-H2O]+ 249.98676 147.1
[M+HCOO]- 311.98770 166.3
[M+CH3COO]- 326.00335 192.6
[M+Na-2H]- 287.96417 155.1
[M]+ 266.98895 167.4
[M]- 266.99005 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

literature stripe

Patent stripe

No patent data available for this compound.