CID 5271825

3-quinolinecarboxylic acid, 7-[(7s)-7-amino-5-azaspiro[2.4]hept-5-yl]-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-

Structural Information

Molecular Formula
C20H22FN3O4
SMILES
COC1=C2C(=CC(=C1N3C[C@H](C4(C3)CC4)N)F)C(=O)C(=CN2C5CC5)C(=O)O
InChI
InChI=1S/C20H22FN3O4/c1-28-18-15-11(17(25)12(19(26)27)7-24(15)10-2-3-10)6-13(21)16(18)23-8-14(22)20(9-23)4-5-20/h6-7,10,14H,2-5,8-9,22H2,1H3,(H,26,27)/t14-/m1/s1
InChIKey
VKOMWJHWDUWDKF-CQSZACIVSA-N
Compound name
7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.15942 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.16670 194.6
[M+Na]+ 410.14864 203.7
[M-H]- 386.15214 201.5
[M+NH4]+ 405.19324 197.3
[M+K]+ 426.12258 197.5
[M+H-H2O]+ 370.15668 188.9
[M+HCOO]- 432.15762 206.8
[M+CH3COO]- 446.17327 201.2
[M+Na-2H]- 408.13409 191.2
[M]+ 387.15887 198.0
[M]- 387.15997 198.0
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

No patent data available for this compound.