CID 686022

2-chloroquinoline-4-carboxamide

Structural Information

Molecular Formula
C10H7ClN2O
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)Cl)C(=O)N
InChI
InChI=1S/C10H7ClN2O/c11-9-5-7(10(12)14)6-3-1-2-4-8(6)13-9/h1-5H,(H2,12,14)
InChIKey
IZZFJWCMEHEJOJ-UHFFFAOYSA-N
Compound name
2-chloroquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

31
Patents

206.02469 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03197 139.8
[M+Na]+ 229.01391 150.1
[M-H]- 205.01741 142.9
[M+NH4]+ 224.05851 159.1
[M+K]+ 244.98785 145.2
[M+H-H2O]+ 189.02195 133.9
[M+HCOO]- 251.02289 157.9
[M+CH3COO]- 265.03854 186.7
[M+Na-2H]- 226.99936 147.1
[M]+ 206.02414 140.7
[M]- 206.02524 140.7
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