CID 479545

8-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methoxy-4-oxo-quinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C18H20FN3O4
SMILES
COC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCC(C4)N
InChI
InChI=1S/C18H20FN3O4/c1-26-16-14-11(9-2-3-9)6-12(18(24)25)17(23)22(14)8-13(19)15(16)21-5-4-10(20)7-21/h6,8-10H,2-5,7,20H2,1H3,(H,24,25)
InChIKey
INFHPGJMRNDJSX-UHFFFAOYSA-N
Compound name
8-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methoxy-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

361.1438 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.15108 182.7
[M+Na]+ 384.13302 193.1
[M-H]- 360.13652 188.9
[M+NH4]+ 379.17762 190.0
[M+K]+ 400.10696 185.9
[M+H-H2O]+ 344.14106 174.3
[M+HCOO]- 406.14200 198.7
[M+CH3COO]- 420.15765 219.2
[M+Na-2H]- 382.11847 180.1
[M]+ 361.14325 184.2
[M]- 361.14435 184.2
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.