CID 488634

4h-quinolizine-3-carboxylic acid, 1-cyclopropyl-7-fluoro-9-methyl-8-(octahydro-2h-cyclopenta[c]pyridin-2-yl)-4-oxo-

Structural Information

Molecular Formula
C22H25FN2O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCC5CCCC5C4
InChI
InChI=1S/C22H25FN2O3/c1-12-19-16(14-5-6-14)9-17(22(27)28)21(26)25(19)11-18(23)20(12)24-8-7-13-3-2-4-15(13)10-24/h9,11,13-15H,2-8,10H2,1H3,(H,27,28)
InChIKey
QAICLGLZBYZTDO-UHFFFAOYSA-N
Compound name
8-(1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-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

0
Patents

384.1849 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.19218 193.5
[M+Na]+ 407.17412 202.4
[M-H]- 383.17762 199.5
[M+NH4]+ 402.21872 200.9
[M+K]+ 423.14806 194.3
[M+H-H2O]+ 367.18216 184.2
[M+HCOO]- 429.18310 204.1
[M+CH3COO]- 443.19875 201.2
[M+Na-2H]- 405.15957 189.3
[M]+ 384.18435 192.0
[M]- 384.18545 192.0
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.