CID 12554538

2-chloroquinoline-3-carboxamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

206.02469 Da
Monoisotopic Mass

2.0
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

No literature data available for this compound.

Patent stripe

patents stripe