CID 9575207

1-ethyl-6,8-difluoro-7-[4-(2-hydroxyimino-propyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C19H22F2N4O4
SMILES
CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCN(CC3)C/C(=N/O)/C)F)C(=O)O
InChI
InChI=1S/C19H22F2N4O4/c1-3-24-10-13(19(27)28)18(26)12-8-14(20)17(15(21)16(12)24)25-6-4-23(5-7-25)9-11(2)22-29/h8,10,29H,3-7,9H2,1-2H3,(H,27,28)/b22-11+
InChIKey
CBFIPXUSIKELTQ-SSDVNMTOSA-N
Compound name
1-ethyl-6,8-difluoro-7-[4-[(2E)-2-hydroxyiminopropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.16092 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.16820 196.7
[M+Na]+ 431.15014 204.2
[M-H]- 407.15364 196.4
[M+NH4]+ 426.19474 203.4
[M+K]+ 447.12408 198.7
[M+H-H2O]+ 391.15818 184.9
[M+HCOO]- 453.15912 207.1
[M+CH3COO]- 467.17477 228.2
[M+Na-2H]- 429.13559 194.1
[M]+ 408.16037 193.9
[M]- 408.16147 193.9
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.