CID 479593

Chembl339837

Structural Information

Molecular Formula
C18H19FN2O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCCC4
InChI
InChI=1S/C18H19FN2O3/c1-10-15-12(11-4-5-11)8-13(18(23)24)17(22)21(15)9-14(19)16(10)20-6-2-3-7-20/h8-9,11H,2-7H2,1H3,(H,23,24)
InChIKey
WTDDXWMDGQENLF-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-pyrrolidin-1-ylquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

330.13797 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14525 177.1
[M+Na]+ 353.12719 187.8
[M-H]- 329.13069 183.5
[M+NH4]+ 348.17179 186.1
[M+K]+ 369.10113 180.6
[M+H-H2O]+ 313.13523 168.4
[M+HCOO]- 375.13617 192.7
[M+CH3COO]- 389.15182 187.0
[M+Na-2H]- 351.11264 175.1
[M]+ 330.13742 178.1
[M]- 330.13852 178.1
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

patents stripe