CID 22319065

3-bromo-1-phenyl-5-(pyridin-2-yl)-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula
C16H11BrN2O
SMILES
C1=CC=C(C=C1)N2C=C(C=C(C2=O)Br)C3=CC=CC=N3
InChI
InChI=1S/C16H11BrN2O/c17-14-10-12(15-8-4-5-9-18-15)11-19(16(14)20)13-6-2-1-3-7-13/h1-11H
InChIKey
GSESXDVCGLBTLD-UHFFFAOYSA-N
Compound name
3-bromo-1-phenyl-5-pyridin-2-ylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

326.0055 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.01278 164.0
[M+Na]+ 348.99472 176.4
[M-H]- 324.99822 173.8
[M+NH4]+ 344.03932 179.0
[M+K]+ 364.96866 163.5
[M+H-H2O]+ 309.00276 161.3
[M+HCOO]- 371.00370 184.2
[M+CH3COO]- 385.01935 177.8
[M+Na-2H]- 346.98017 172.1
[M]+ 326.00495 182.5
[M]- 326.00605 182.5
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

patents stripe