CID 121960

123942-04-1

Structural Information

Molecular Formula
C20H17FN2O3
SMILES
CC1=CC(=CC(=N1)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C20H17FN2O3/c1-10-5-12(6-11(2)22-10)14-8-18-15(7-17(14)21)19(24)16(20(25)26)9-23(18)13-3-4-13/h5-9,13H,3-4H2,1-2H3,(H,25,26)
InChIKey
FNKLCGHPPNAPBJ-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

30
Patents

352.1223 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.12958 185.1
[M+Na]+ 375.11152 197.6
[M-H]- 351.11502 191.9
[M+NH4]+ 370.15612 191.6
[M+K]+ 391.08546 189.8
[M+H-H2O]+ 335.11956 174.8
[M+HCOO]- 397.12050 202.0
[M+CH3COO]- 411.13615 195.0
[M+Na-2H]- 373.09697 185.6
[M]+ 352.12175 188.8
[M]- 352.12285 188.8
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

patents stripe