CID 469557

Pd143471

Structural Information

Molecular Formula
C19H20F2N2O3
SMILES
CCC1CCN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C19H20F2N2O3/c1-2-10-5-6-22(8-10)17-14(20)7-12-16(15(17)21)23(11-3-4-11)9-13(18(12)24)19(25)26/h7,9-11H,2-6,8H2,1H3,(H,25,26)
InChIKey
GUQIDQZDYUSDSR-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-(3-ethylpyrrolidin-1-yl)-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

362.1442 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.15148 183.0
[M+Na]+ 385.13342 194.1
[M-H]- 361.13692 188.1
[M+NH4]+ 380.17802 190.9
[M+K]+ 401.10736 186.1
[M+H-H2O]+ 345.14146 173.4
[M+HCOO]- 407.14240 197.1
[M+CH3COO]- 421.15805 217.8
[M+Na-2H]- 383.11887 179.4
[M]+ 362.14365 183.8
[M]- 362.14475 183.8
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.