CID 44295120

Ciprofolxacin

Structural Information

Molecular Formula
C21H26FN5O3
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCC(C4)NN5CCNCC5)F)C(=O)O
InChI
InChI=1S/C21H26FN5O3/c22-17-9-15-18(27(14-1-2-14)12-16(20(15)28)21(29)30)10-19(17)25-6-3-13(11-25)24-26-7-4-23-5-8-26/h9-10,12-14,23-24H,1-8,11H2,(H,29,30)
InChIKey
FIHDNOVOCKTMNW-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-4-oxo-7-[3-(piperazin-1-ylamino)pyrrolidin-1-yl]quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

197
Patents

415.20197 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.20925 201.7
[M+Na]+ 438.19119 208.1
[M-H]- 414.19469 205.7
[M+NH4]+ 433.23579 202.8
[M+K]+ 454.16513 198.9
[M+H-H2O]+ 398.19923 190.8
[M+HCOO]- 460.20017 210.5
[M+CH3COO]- 474.21582 206.8
[M+Na-2H]- 436.17664 197.6
[M]+ 415.20142 196.0
[M]- 415.20252 196.0
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