CID 5271837

3-quinolinecarboxylic acid, 7-(5,8-diazaspiro[3.5]non-8-yl)-6-fluoro-1-[(1r,2s)-2-fluorocyclopropyl]-1,4-dihydro-8-methoxy-4-oxo-

Structural Information

Molecular Formula
C21H23F2N3O4
SMILES
COC1=C2C(=CC(=C1N3CCNC4(C3)CCC4)F)C(=O)C(=CN2[C@@H]5C[C@@H]5F)C(=O)O
InChI
InChI=1S/C21H23F2N3O4/c1-30-19-16-11(18(27)12(20(28)29)9-26(16)15-8-13(15)22)7-14(23)17(19)25-6-5-24-21(10-25)3-2-4-21/h7,9,13,15,24H,2-6,8,10H2,1H3,(H,28,29)/t13-,15+/m0/s1
InChIKey
QKOPZRMPGHXVRY-DZGCQCFKSA-N
Compound name
7-(5,8-diazaspiro[3.5]nonan-8-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.16565 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.17293 205.1
[M+Na]+ 442.15487 213.1
[M-H]- 418.15837 208.0
[M+NH4]+ 437.19947 202.7
[M+K]+ 458.12881 208.9
[M+H-H2O]+ 402.16291 189.0
[M+HCOO]- 464.16385 211.5
[M+CH3COO]- 478.17950 227.2
[M+Na-2H]- 440.14032 201.9
[M]+ 419.16510 210.7
[M]- 419.16620 210.7
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.