CID 466916

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

Structural Information

Molecular Formula
C14H11N3O4
SMILES
C=CCOC(=O)N1C(C=CC2=C1C=CC(=C2)[N+](=O)[O-])C#N
InChI
InChI=1S/C14H11N3O4/c1-2-7-21-14(18)16-12(9-15)4-3-10-8-11(17(19)20)5-6-13(10)16/h2-6,8,12H,1,7H2
InChIKey
DYSLHVFGNINLEI-UHFFFAOYSA-N
Compound name
prop-2-enyl 2-cyano-6-nitro-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

285.07495 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.08223 167.8
[M+Na]+ 308.06417 176.6
[M-H]- 284.06767 169.8
[M+NH4]+ 303.10877 180.6
[M+K]+ 324.03811 168.3
[M+H-H2O]+ 268.07221 157.8
[M+HCOO]- 330.07315 184.8
[M+CH3COO]- 344.08880 205.4
[M+Na-2H]- 306.04962 172.5
[M]+ 285.07440 162.2
[M]- 285.07550 162.2
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

No patent data available for this compound.