CID 469548

Pd122958

Structural Information

Molecular Formula
C20H23F2N3O3
SMILES
CN(C)CC1CCN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C20H23F2N3O3/c1-23(2)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/h7,10-12H,3-6,8-9H2,1-2H3,(H,27,28)
InChIKey
VWXSNQMSAGBLPD-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

25
Patents

391.17075 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.17803 189.8
[M+Na]+ 414.15997 199.6
[M-H]- 390.16347 196.1
[M+NH4]+ 409.20457 196.8
[M+K]+ 430.13391 192.6
[M+H-H2O]+ 374.16801 180.0
[M+HCOO]- 436.16895 205.1
[M+CH3COO]- 450.18460 228.6
[M+Na-2H]- 412.14542 185.8
[M]+ 391.17020 191.5
[M]- 391.17130 191.5
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