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 150.6
[M+Na]+ 271.02447 165.3
[M-H]- 247.02797 154.0
[M+NH4]+ 266.06907 167.5
[M+K]+ 286.99841 159.0
[M+H-H2O]+ 231.03251 138.5
[M+HCOO]- 293.03345 165.5
[M+CH3COO]- 307.04910 205.4
[M+Na-2H]- 269.00992 155.8
[M]+ 248.03470 151.1
[M]- 248.03580 151.1
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