CID 484058

7-amino-1-(5-amino-2,4-difluorophenyl)-6-fluoro-8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C17H12F3N3O3
SMILES
CC1=C2C(=CC(=C1N)F)C(=O)C(=CN2C3=C(C=C(C(=C3)N)F)F)C(=O)O
InChI
InChI=1S/C17H12F3N3O3/c1-6-14(22)11(20)2-7-15(6)23(5-8(16(7)24)17(25)26)13-4-12(21)9(18)3-10(13)19/h2-5H,21-22H2,1H3,(H,25,26)
InChIKey
ODKHMADULYCXOQ-UHFFFAOYSA-N
Compound name
7-amino-1-(5-amino-2,4-difluorophenyl)-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

363.08307 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.09035 183.1
[M+Na]+ 386.07229 195.7
[M-H]- 362.07579 185.4
[M+NH4]+ 381.11689 194.6
[M+K]+ 402.04623 189.2
[M+H-H2O]+ 346.08033 172.2
[M+HCOO]- 408.08127 200.4
[M+CH3COO]- 422.09692 223.7
[M+Na-2H]- 384.05774 181.4
[M]+ 363.08252 180.1
[M]- 363.08362 180.1
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