CID 465916

Chembl15266

Structural Information

Molecular Formula
C20H24FN3O3
SMILES
CCNCC1CCN(C1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C20H24FN3O3/c1-2-22-9-12-5-6-23(10-12)18-8-17-14(7-16(18)21)19(25)15(20(26)27)11-24(17)13-3-4-13/h7-8,11-13,22H,2-6,9-10H2,1H3,(H,26,27)
InChIKey
RRGOWYKIBMTSOP-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

5
Patents

373.18018 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.18746 187.3
[M+Na]+ 396.16940 196.3
[M-H]- 372.17290 193.2
[M+NH4]+ 391.21400 194.2
[M+K]+ 412.14334 188.5
[M+H-H2O]+ 356.17744 178.2
[M+HCOO]- 418.17838 203.3
[M+CH3COO]- 432.19403 221.8
[M+Na-2H]- 394.15485 185.2
[M]+ 373.17963 188.5
[M]- 373.18073 188.5
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