CID 466908

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

Structural Information

Molecular Formula
C15H15N3O4
SMILES
CCCCOC(=O)N1C(C=CC2=C1C=CC(=C2)[N+](=O)[O-])C#N
InChI
InChI=1S/C15H15N3O4/c1-2-3-8-22-15(19)17-13(10-16)5-4-11-9-12(18(20)21)6-7-14(11)17/h4-7,9,13H,2-3,8H2,1H3
InChIKey
SONKMMCWJMMUGL-UHFFFAOYSA-N
Compound name
butyl 2-cyano-6-nitro-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

301.10626 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.11354 171.8
[M+Na]+ 324.09548 179.9
[M-H]- 300.09898 173.6
[M+NH4]+ 319.14008 184.1
[M+K]+ 340.06942 172.0
[M+H-H2O]+ 284.10352 161.6
[M+HCOO]- 346.10446 188.4
[M+CH3COO]- 360.12011 208.9
[M+Na-2H]- 322.08093 176.2
[M]+ 301.10571 167.2
[M]- 301.10681 167.2
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.