CID 479582

1-cyclopropyl-8-((s)-3-dimethylamino-pyrrolidin-1-yl)-7-fluoro-9-methyl-4-oxo-4h-quinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C20H24FN3O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CC[C@@H](C4)N(C)C
InChI
InChI=1S/C20H24FN3O3/c1-11-17-14(12-4-5-12)8-15(20(26)27)19(25)24(17)10-16(21)18(11)23-7-6-13(9-23)22(2)3/h8,10,12-13H,4-7,9H2,1-3H3,(H,26,27)/t13-/m0/s1
InChIKey
ZHKKPDRPAGQYLF-ZDUSSCGKSA-N
Compound name
1-cyclopropyl-8-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

11
Patents

373.18018 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.18746 188.2
[M+Na]+ 396.16940 198.0
[M-H]- 372.17290 195.8
[M+NH4]+ 391.21400 196.0
[M+K]+ 412.14334 191.5
[M+H-H2O]+ 356.17744 179.4
[M+HCOO]- 418.17838 204.5
[M+CH3COO]- 432.19403 226.1
[M+Na-2H]- 394.15485 184.7
[M]+ 373.17963 190.9
[M]- 373.18073 190.9
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.