CID 10714497

1-cyclopropyl-6-fluoro-7-[3-(hydroxymethyl)piperazin-1-yl]-5-methyl-4-oxoquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C19H22FN3O4
SMILES
CC1=C2C(=CC(=C1F)N3CCNC(C3)CO)N(C=C(C2=O)C(=O)O)C4CC4
InChI
InChI=1S/C19H22FN3O4/c1-10-16-14(23(12-2-3-12)8-13(18(16)25)19(26)27)6-15(17(10)20)22-5-4-21-11(7-22)9-24/h6,8,11-12,21,24H,2-5,7,9H2,1H3,(H,26,27)
InChIKey
MJSHHKAEGFKVDO-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-7-[3-(hydroxymethyl)piperazin-1-yl]-5-methyl-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.15942 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.166696 193.7
[M+Na]+ 398.148638 202.9
[M-H]- 374.152144 195.6
[M+NH4]+ 393.193243 196.4
[M+K]+ 414.122578 194.3
[M+H-H2O]+ 358.156680 183.8
[M+HCOO]- 420.157621 202.7
[M+CH3COO]- 434.173271 216.8
[M+Na-2H]- 396.134086 191.2
[M]+ 375.15887142 191.8
[M]- 375.15996858 191.8
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.