CID 479594

Chembl335674

Structural Information

Molecular Formula
C18H20FN3O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCCN4C
InChI
InChI=1S/C18H20FN3O3/c1-10-15-12(11-4-5-11)8-13(18(24)25)17(23)21(15)9-14(19)16(10)22-7-3-6-20(22)2/h8-9,11H,3-7H2,1-2H3,(H,24,25)
InChIKey
JKUQJDOBPDLXLC-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-fluoro-9-methyl-8-(2-methylpyrazolidin-1-yl)-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

345.14886 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.15614 185.9
[M+Na]+ 368.13808 197.5
[M-H]- 344.14158 191.2
[M+NH4]+ 363.18268 193.2
[M+K]+ 384.11202 189.5
[M+H-H2O]+ 328.14612 176.7
[M+HCOO]- 390.14706 200.1
[M+CH3COO]- 404.16271 195.1
[M+Na-2H]- 366.12353 182.7
[M]+ 345.14831 187.7
[M]- 345.14941 187.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.