CID 3009592

1-ethyl-7-(ethylamino)-6-nitro-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C14H15N3O5
SMILES
CCNC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)CC)[N+](=O)[O-]
InChI
InChI=1S/C14H15N3O5/c1-3-15-10-6-11-8(5-12(10)17(21)22)13(18)9(14(19)20)7-16(11)4-2/h5-7,15H,3-4H2,1-2H3,(H,19,20)
InChIKey
BEFLTPQFLOURTC-UHFFFAOYSA-N
Compound name
1-ethyl-7-(ethylamino)-6-nitro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.10117 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.108446 164.3
[M+Na]+ 328.090388 172.2
[M-H]- 304.093894 167.0
[M+NH4]+ 323.134993 177.5
[M+K]+ 344.064328 164.9
[M+H-H2O]+ 288.098430 161.4
[M+HCOO]- 350.099371 186.1
[M+CH3COO]- 364.115021 201.5
[M+Na-2H]- 326.075836 170.4
[M]+ 305.10062142 165.5
[M]- 305.10171858 165.5
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.