CID 488633

Schembl8563854

Structural Information

Molecular Formula
C18H19FN2O4
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CC(C4)CO
InChI
InChI=1S/C18H19FN2O4/c1-9-15-12(11-2-3-11)4-13(18(24)25)17(23)21(15)7-14(19)16(9)20-5-10(6-20)8-22/h4,7,10-11,22H,2-3,5-6,8H2,1H3,(H,24,25)
InChIKey
SFVIMEUKPIHTBV-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-fluoro-8-[3-(hydroxymethyl)azetidin-1-yl]-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

346.13287 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.14015 182.2
[M+Na]+ 369.12209 191.7
[M-H]- 345.12559 186.9
[M+NH4]+ 364.16669 182.4
[M+K]+ 385.09603 187.9
[M+H-H2O]+ 329.13013 167.9
[M+HCOO]- 391.13107 195.2
[M+CH3COO]- 405.14672 216.6
[M+Na-2H]- 367.10754 180.5
[M]+ 346.13232 192.8
[M]- 346.13342 192.8
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

patents stripe