CID 13320456

74011-53-3

Structural Information

Molecular Formula
C16H17FN4O4
SMILES
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)N=O)F)C(=O)O
InChI
InChI=1S/C16H17FN4O4/c1-2-19-9-11(16(23)24)15(22)10-7-12(17)14(8-13(10)19)20-3-5-21(18-25)6-4-20/h7-9H,2-6H2,1H3,(H,23,24)
InChIKey
VQHCDBIVTDIKDV-UHFFFAOYSA-N
Compound name
1-ethyl-6-fluoro-7-(4-nitrosopiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

348.12338 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.13066 179.7
[M+Na]+ 371.11260 188.3
[M-H]- 347.11610 182.2
[M+NH4]+ 366.15720 189.4
[M+K]+ 387.08654 183.9
[M+H-H2O]+ 331.12064 168.5
[M+HCOO]- 393.12158 194.7
[M+CH3COO]- 407.13723 217.2
[M+Na-2H]- 369.09805 181.5
[M]+ 348.12283 179.0
[M]- 348.12393 179.0
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

patents stripe