CID 457725

5-bromo-8-methoxyonychine

Structural Information

Molecular Formula
C14H10BrNO2
SMILES
CC1=C2C(=NC=C1)C3=C(C=CC(=C3C2=O)OC)Br
InChI
InChI=1S/C14H10BrNO2/c1-7-5-6-16-13-10(7)14(17)12-9(18-2)4-3-8(15)11(12)13/h3-6H,1-2H3
InChIKey
LSBONRWFZYOJPL-UHFFFAOYSA-N
Compound name
9-bromo-6-methoxy-4-methylindeno[1,2-b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.9895 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.99678 160.7
[M+Na]+ 325.97872 175.9
[M-H]- 301.98222 168.7
[M+NH4]+ 321.02332 182.9
[M+K]+ 341.95266 164.2
[M+H-H2O]+ 285.98676 160.8
[M+HCOO]- 347.98770 180.9
[M+CH3COO]- 362.00335 176.2
[M+Na-2H]- 323.96417 166.9
[M]+ 302.98895 183.5
[M]- 302.99005 183.5
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.