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

23
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

literature stripe

Patent stripe

patents stripe