CID 9928260

257892-34-5

Structural Information

Molecular Formula
C16H11Cl2N3O2
SMILES
COC1=C2C(=C(C=C1)C(=O)NC3=C(N=CC(=C3)Cl)Cl)C=CC=N2
InChI
InChI=1S/C16H11Cl2N3O2/c1-23-13-5-4-11(10-3-2-6-19-14(10)13)16(22)21-12-7-9(17)8-20-15(12)18/h2-8H,1H3,(H,21,22)
InChIKey
FSDOTMQXIKBFKJ-UHFFFAOYSA-N
Compound name
N-(2,5-dichloropyridin-3-yl)-8-methoxyquinoline-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

412
Patents

347.02283 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.03011 174.1
[M+Na]+ 370.01205 184.9
[M-H]- 346.01555 178.7
[M+NH4]+ 365.05665 186.9
[M+K]+ 385.98599 178.1
[M+H-H2O]+ 330.02009 165.6
[M+HCOO]- 392.02103 185.7
[M+CH3COO]- 406.03668 184.9
[M+Na-2H]- 367.99750 179.6
[M]+ 347.02228 179.5
[M]- 347.02338 179.5
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

patents stripe