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]+ 316.008006 161.6
[M+Na]+ 337.989948 174.4
[M-H]- 313.993454 168.0
[M+NH4]+ 333.034553 177.3
[M+K]+ 353.963888 160.3
[M+H-H2O]+ 297.997990 159.4
[M+HCOO]- 359.998931 179.9
[M+CH3COO]- 374.014581 174.7
[M+Na-2H]- 335.975396 169.7
[M]+ 315.00018142 178.0
[M]- 315.00127858 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.