CID 479645

8-(5-aminomethyl-3,6-dihydro-2h-pyridin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-4h-quinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C20H22FN3O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCC=C(C4)CN
InChI
InChI=1S/C20H22FN3O3/c1-11-17-14(13-4-5-13)7-15(20(26)27)19(25)24(17)10-16(21)18(11)23-6-2-3-12(8-22)9-23/h3,7,10,13H,2,4-6,8-9,22H2,1H3,(H,26,27)
InChIKey
IRZHKIYXVVJTKH-UHFFFAOYSA-N
Compound name
8-[5-(aminomethyl)-3,6-dihydro-2H-pyridin-1-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

371.16452 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.17180 189.8
[M+Na]+ 394.15374 199.7
[M-H]- 370.15724 195.4
[M+NH4]+ 389.19834 194.9
[M+K]+ 410.12768 191.8
[M+H-H2O]+ 354.16178 179.8
[M+HCOO]- 416.16272 204.4
[M+CH3COO]- 430.17837 223.0
[M+Na-2H]- 392.13919 188.3
[M]+ 371.16397 189.6
[M]- 371.16507 189.6
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.