CID 5277431

1-(4-amino-2-fluoro-phenyl)-7-morpholino-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C20H18FN3O4
SMILES
C1COCCN1C2=CC3=C(C=C2)C(=O)C(=CN3C4=C(C=C(C=C4)N)F)C(=O)O
InChI
InChI=1S/C20H18FN3O4/c21-16-9-12(22)1-4-17(16)24-11-15(20(26)27)19(25)14-3-2-13(10-18(14)24)23-5-7-28-8-6-23/h1-4,9-11H,5-8,22H2,(H,26,27)
InChIKey
IVFPRZBFHRZHSD-UHFFFAOYSA-N
Compound name
1-(4-amino-2-fluorophenyl)-7-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.12814 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.13542 191.4
[M+Na]+ 406.11736 199.0
[M-H]- 382.12086 197.0
[M+NH4]+ 401.16196 198.2
[M+K]+ 422.09130 194.0
[M+H-H2O]+ 366.12540 179.3
[M+HCOO]- 428.12634 204.4
[M+CH3COO]- 442.14199 199.5
[M+Na-2H]- 404.10281 192.3
[M]+ 383.12759 187.5
[M]- 383.12869 187.5
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.