CID 488636

Schembl8600516

Structural Information

Molecular Formula
C20H22FN3O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CC5(C4)CC(C5)N
InChI
InChI=1S/C20H22FN3O3/c1-10-16-13(11-2-3-11)4-14(19(26)27)18(25)24(16)7-15(21)17(10)23-8-20(9-23)5-12(22)6-20/h4,7,11-12H,2-3,5-6,8-9,22H2,1H3,(H,26,27)
InChIKey
REQZAPXNOBDOFF-UHFFFAOYSA-N
Compound name
8-(6-amino-2-azaspiro[3.3]heptan-2-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

371.16452 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.17180 189.0
[M+Na]+ 394.15374 196.2
[M-H]- 370.15724 195.4
[M+NH4]+ 389.19834 184.8
[M+K]+ 410.12768 196.2
[M+H-H2O]+ 354.16178 171.1
[M+HCOO]- 416.16272 199.9
[M+CH3COO]- 430.17837 230.0
[M+Na-2H]- 392.13919 186.8
[M]+ 371.16397 204.4
[M]- 371.16507 204.4
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