CID 469558

Schembl8564457

Structural Information

Molecular Formula
C20H23F2N3O3
SMILES
CC(C)(C1CCN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F)N
InChI
InChI=1S/C20H23F2N3O3/c1-20(2,23)10-5-6-24(8-10)17-14(21)7-12-16(15(17)22)25(11-3-4-11)9-13(18(12)26)19(27)28/h7,9-11H,3-6,8,23H2,1-2H3,(H,27,28)
InChIKey
NDRMJUZYMXRWCM-UHFFFAOYSA-N
Compound name
7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

11
Patents

391.17075 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.17803 189.6
[M+Na]+ 414.15997 199.6
[M-H]- 390.16347 194.3
[M+NH4]+ 409.20457 195.8
[M+K]+ 430.13391 191.7
[M+H-H2O]+ 374.16801 180.8
[M+HCOO]- 436.16895 202.2
[M+CH3COO]- 450.18460 225.6
[M+Na-2H]- 412.14542 186.6
[M]+ 391.17020 188.8
[M]- 391.17130 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