CID 73366

99734-97-1

Structural Information

Molecular Formula
C20H23F2N3O3
SMILES
CCNCC1CCN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C20H23F2N3O3/c1-2-23-8-11-5-6-24(9-11)18-15(21)7-13-17(16(18)22)25(12-3-4-12)10-14(19(13)26)20(27)28/h7,10-12,23H,2-6,8-9H2,1H3,(H,27,28)
InChIKey
WDBGUJBLPRXPIX-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

42
Patents

391.17075 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.17803 189.3
[M+Na]+ 414.15997 199.0
[M-H]- 390.16347 194.2
[M+NH4]+ 409.20457 195.7
[M+K]+ 430.13391 190.7
[M+H-H2O]+ 374.16801 179.5
[M+HCOO]- 436.16895 204.1
[M+CH3COO]- 450.18460 225.6
[M+Na-2H]- 412.14542 186.0
[M]+ 391.17020 189.9
[M]- 391.17130 189.9
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

patents stripe