CID 469549

Pd122957

Structural Information

Molecular Formula
C18H18F2N2O4
SMILES
COC1CCN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C18H18F2N2O4/c1-26-10-4-5-21(7-10)16-13(19)6-11-15(14(16)20)22(9-2-3-9)8-12(17(11)23)18(24)25/h6,8-10H,2-5,7H2,1H3,(H,24,25)
InChIKey
YGMPAANMLGTBFC-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6,8-difluoro-7-(3-methoxypyrrolidin-1-yl)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

364.12347 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.13075 182.1
[M+Na]+ 387.11269 193.3
[M-H]- 363.11619 187.3
[M+NH4]+ 382.15729 189.7
[M+K]+ 403.08663 186.1
[M+H-H2O]+ 347.12073 172.6
[M+HCOO]- 409.12167 196.6
[M+CH3COO]- 423.13732 217.1
[M+Na-2H]- 385.09814 179.0
[M]+ 364.12292 183.9
[M]- 364.12402 183.9
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.