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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.