CID 130128

108405-58-9

Structural Information

Molecular Formula
C19H20FN3O4
SMILES
CC1CC(=O)C2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O
InChI
InChI=1S/C19H20FN3O4/c1-10-7-14(24)15-16-11(18(25)12(19(26)27)9-23(10)16)8-13(20)17(15)22-5-3-21(2)4-6-22/h8-10H,3-7H2,1-2H3,(H,26,27)
InChIKey
LHFYJRFKHCINFE-UHFFFAOYSA-N
Compound name
7-fluoro-12-methyl-8-(4-methylpiperazin-1-yl)-4,10-dioxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

373.1438 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.15108 190.3
[M+Na]+ 396.13302 198.8
[M-H]- 372.13652 191.3
[M+NH4]+ 391.17762 200.0
[M+K]+ 412.10696 193.1
[M+H-H2O]+ 356.14106 179.3
[M+HCOO]- 418.14200 198.3
[M+CH3COO]- 432.15765 221.3
[M+Na-2H]- 394.11847 189.3
[M]+ 373.14325 188.0
[M]- 373.14435 188.0
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

patents stripe