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]+ 306.10845 164.3
[M+Na]+ 328.09039 172.2
[M-H]- 304.09389 167.0
[M+NH4]+ 323.13499 177.5
[M+K]+ 344.06433 164.9
[M+H-H2O]+ 288.09843 161.4
[M+HCOO]- 350.09937 186.1
[M+CH3COO]- 364.11502 201.5
[M+Na-2H]- 326.07584 170.4
[M]+ 305.10062 165.5
[M]- 305.10172 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.