CID 118417048

1598417-48-1

Structural Information

Molecular Formula
C12H9ClN2O2
SMILES
CN1C2=C(C=C(C=C2)OC)C(=C(C1=O)C#N)Cl
InChI
InChI=1S/C12H9ClN2O2/c1-15-10-4-3-7(17-2)5-8(10)11(13)9(6-14)12(15)16/h3-5H,1-2H3
InChIKey
IVWONFJVETVKQM-UHFFFAOYSA-N
Compound name
4-chloro-6-methoxy-1-methyl-2-oxoquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

248.03525 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.04253 148.9
[M+Na]+ 271.02447 164.4
[M+NH4]+ 266.06907 154.1
[M+K]+ 286.99841 154.0
[M-H]- 247.02797 144.1
[M+Na-2H]- 269.00992 153.1
[M]+ 248.03470 149.4
[M]- 248.03580 149.4
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