CID 5271826

Dk-507k

Structural Information

Molecular Formula
C20H21F2N3O4
SMILES
COC1=C2C(=CC(=C1N3C[C@H](C4(C3)CC4)N)F)C(=O)C(=CN2[C@@H]5C[C@@H]5F)C(=O)O
InChI
InChI=1S/C20H21F2N3O4/c1-29-18-15-9(17(26)10(19(27)28)6-25(15)13-5-11(13)21)4-12(22)16(18)24-7-14(23)20(8-24)2-3-20/h4,6,11,13-14H,2-3,5,7-8,23H2,1H3,(H,27,28)/t11-,13+,14+/m0/s1
InChIKey
JYRHGXXQSIPDDP-IACUBPJLSA-N
Compound name
7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

65
Patents

405.15002 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.15730 194.9
[M+Na]+ 428.13924 204.5
[M-H]- 404.14274 200.8
[M+NH4]+ 423.18384 197.0
[M+K]+ 444.11318 197.8
[M+H-H2O]+ 388.14728 188.5
[M+HCOO]- 450.14822 206.0
[M+CH3COO]- 464.16387 201.3
[M+Na-2H]- 426.12469 190.6
[M]+ 405.14947 197.7
[M]- 405.15057 197.7
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.