CID 4182953

1-cyclopropyl-6-fluoro-7-(4-formylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C18H18FN3O4
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C=O)F)C(=O)O
InChI
InChI=1S/C18H18FN3O4/c19-14-7-12-15(8-16(14)21-5-3-20(10-23)4-6-21)22(11-1-2-11)9-13(17(12)24)18(25)26/h7-11H,1-6H2,(H,25,26)
InChIKey
KCXCSXLUYCTARV-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-7-(4-formylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

20
Patents

359.12814 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.13542 191.1
[M+Na]+ 382.11736 200.9
[M-H]- 358.12086 195.3
[M+NH4]+ 377.16196 195.2
[M+K]+ 398.09130 193.4
[M+H-H2O]+ 342.12540 180.2
[M+HCOO]- 404.12634 203.4
[M+CH3COO]- 418.14199 216.1
[M+Na-2H]- 380.10281 190.1
[M]+ 359.12759 190.8
[M]- 359.12869 190.8
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.