CID 466888

Ethyl 2-cyano-6-nitro-2h-quinoline-1-carboxylate

Structural Information

Molecular Formula
C13H11N3O4
SMILES
CCOC(=O)N1C(C=CC2=C1C=CC(=C2)[N+](=O)[O-])C#N
InChI
InChI=1S/C13H11N3O4/c1-2-20-13(17)15-11(8-14)4-3-9-7-10(16(18)19)5-6-12(9)15/h3-7,11H,2H2,1H3
InChIKey
HAWYJQBHQMMGJZ-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-6-nitro-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

273.07495 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08223 163.5
[M+Na]+ 296.06417 172.4
[M-H]- 272.06767 165.7
[M+NH4]+ 291.10877 176.8
[M+K]+ 312.03811 164.9
[M+H-H2O]+ 256.07221 153.7
[M+HCOO]- 318.07315 180.7
[M+CH3COO]- 332.08880 203.5
[M+Na-2H]- 294.04962 168.8
[M]+ 273.07440 158.3
[M]- 273.07550 158.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.