CID 479587

(+/-)-8-(1-amino-5-aza-spiro[2.5]oct-5-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-4h-quinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C21H24FN3O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCCC5(C4)CC5N
InChI
InChI=1S/C21H24FN3O3/c1-11-17-13(12-3-4-12)7-14(20(27)28)19(26)25(17)9-15(22)18(11)24-6-2-5-21(10-24)8-16(21)23/h7,9,12,16H,2-6,8,10,23H2,1H3,(H,27,28)
InChIKey
RHSMTGKOUQMUPB-UHFFFAOYSA-N
Compound name
8-(2-amino-5-azaspiro[2.5]octan-5-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

385.18018 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.18746 199.5
[M+Na]+ 408.16940 207.7
[M-H]- 384.17290 205.7
[M+NH4]+ 403.21400 200.6
[M+K]+ 424.14334 201.9
[M+H-H2O]+ 368.17744 192.1
[M+HCOO]- 430.17838 209.8
[M+CH3COO]- 444.19403 205.1
[M+Na-2H]- 406.15485 196.5
[M]+ 385.17963 199.9
[M]- 385.18073 199.9
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.