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

19
Patents

248.03525 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.042526 150.6
[M+Na]+ 271.024468 165.3
[M-H]- 247.027974 154.0
[M+NH4]+ 266.069073 167.5
[M+K]+ 286.998408 159.0
[M+H-H2O]+ 231.032510 138.5
[M+HCOO]- 293.033451 165.5
[M+CH3COO]- 307.049101 205.4
[M+Na-2H]- 269.009916 155.8
[M]+ 248.03470142 151.1
[M]- 248.03579858 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