CID 12702961

3-amino-6-bromo-4-(pyridin-2-yl)quinolin-2(1h)-one

Structural Information

Molecular Formula
C14H10BrN3O
SMILES
C1=CC=NC(=C1)C2=C(C(=O)NC3=C2C=C(C=C3)Br)N
InChI
InChI=1S/C14H10BrN3O/c15-8-4-5-10-9(7-8)12(13(16)14(19)18-10)11-3-1-2-6-17-11/h1-7H,16H2,(H,18,19)
InChIKey
DVLDFOLKYISENR-UHFFFAOYSA-N
Compound name
3-amino-6-bromo-4-pyridin-2-yl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.00073 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.00801 161.6
[M+Na]+ 337.98995 174.4
[M-H]- 313.99345 168.0
[M+NH4]+ 333.03455 177.3
[M+K]+ 353.96389 160.3
[M+H-H2O]+ 297.99799 159.4
[M+HCOO]- 359.99893 179.9
[M+CH3COO]- 374.01458 174.7
[M+Na-2H]- 335.97540 169.7
[M]+ 315.00018 178.0
[M]- 315.00128 178.0
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.