CID 22936418

4-chloro-7-methoxyquinoline-6-carboxamide

Structural Information

Molecular Formula
C11H9ClN2O2
SMILES
COC1=CC2=NC=CC(=C2C=C1C(=O)N)Cl
InChI
InChI=1S/C11H9ClN2O2/c1-16-10-5-9-6(4-7(10)11(13)15)8(12)2-3-14-9/h2-5H,1H3,(H2,13,15)
InChIKey
ZBTVNIDMGKZSGC-UHFFFAOYSA-N
Compound name
4-chloro-7-methoxyquinoline-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

268
Patents

236.03525 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.042526 147.4
[M+Na]+ 259.024468 158.0
[M-H]- 235.027974 150.8
[M+NH4]+ 254.069073 165.7
[M+K]+ 274.998408 153.6
[M+H-H2O]+ 219.032510 141.4
[M+HCOO]- 281.033451 165.4
[M+CH3COO]- 295.049101 193.0
[M+Na-2H]- 257.009916 153.4
[M]+ 236.03470142 150.5
[M]- 236.03579858 150.5
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