CID 23320177

Ethyl 4-oxo-1,4-dihydrocinnoline-3-carboxylate

Structural Information

Molecular Formula
C11H10N2O3
SMILES
CCOC(=O)C1=NNC2=CC=CC=C2C1=O
InChI
InChI=1S/C11H10N2O3/c1-2-16-11(15)9-10(14)7-5-3-4-6-8(7)12-13-9/h3-6H,2H2,1H3,(H,12,14)
InChIKey
GKZADQFFKFUDKN-UHFFFAOYSA-N
Compound name
ethyl 4-oxo-1H-cinnoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

218.06914 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07642 145.5
[M+Na]+ 241.05836 159.2
[M+NH4]+ 236.10296 152.3
[M+K]+ 257.03230 153.4
[M-H]- 217.06186 145.7
[M+Na-2H]- 239.04381 151.4
[M]+ 218.06859 147.3
[M]- 218.06969 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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