CID 488643

4h-quinolizine-3-carboxylic acid, 8-[(3s)-3-(2-aminocyclopropyl)-1-pyrrolidinyl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-

Structural Information

Molecular Formula
C21H24FN3O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CC[C@H](C4)C5CC5N
InChI
InChI=1S/C21H24FN3O3/c1-10-18-14(11-2-3-11)6-15(21(27)28)20(26)25(18)9-16(22)19(10)24-5-4-12(8-24)13-7-17(13)23/h6,9,11-13,17H,2-5,7-8,23H2,1H3,(H,27,28)/t12-,13?,17?/m1/s1
InChIKey
KWWAMTAUMXVNMT-SFYCDEOASA-N
Compound name
8-[(3S)-3-(2-aminocyclopropyl)pyrrolidin-1-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

385.18018 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.18746 191.7
[M+Na]+ 408.16940 200.2
[M-H]- 384.17290 199.3
[M+NH4]+ 403.21400 192.7
[M+K]+ 424.14334 192.4
[M+H-H2O]+ 368.17744 185.0
[M+HCOO]- 430.17838 204.5
[M+CH3COO]- 444.19403 198.2
[M+Na-2H]- 406.15485 186.1
[M]+ 385.17963 193.4
[M]- 385.18073 193.4
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

No patent data available for this compound.