CID 465551

Pd138926

Structural Information

Molecular Formula
C20H24FN3O4
SMILES
CC1CN(CC(N1)C)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C20H24FN3O4/c1-10-7-23(8-11(2)22-10)17-15(21)6-13-16(19(17)28-3)24(12-4-5-12)9-14(18(13)25)20(26)27/h6,9-12,22H,4-5,7-8H2,1-3H3,(H,26,27)
InChIKey
PDLYJBPWYAMEFJ-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

7
Patents

389.17508 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.18236 199.7
[M+Na]+ 412.16430 209.6
[M-H]- 388.16780 202.9
[M+NH4]+ 407.20890 202.6
[M+K]+ 428.13824 201.5
[M+H-H2O]+ 372.17234 189.3
[M+HCOO]- 434.17328 209.6
[M+CH3COO]- 448.18893 222.9
[M+Na-2H]- 410.14975 196.1
[M]+ 389.17453 200.0
[M]- 389.17563 200.0
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