CID 468597

Amq6

Structural Information

Molecular Formula
C17H16F2N2O5S
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCS(=O)(=O)CC4)F)C(=O)O
InChI
InChI=1S/C17H16F2N2O5S/c18-12-7-10-14(13(19)15(12)20-3-5-27(25,26)6-4-20)21(9-1-2-9)8-11(16(10)22)17(23)24/h7-9H,1-6H2,(H,23,24)
InChIKey
BDYWZQXBEZYFQF-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-(1,1-dioxo-1,4-thiazinan-4-yl)-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

398.0748 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.08208 185.8
[M+Na]+ 421.06402 196.9
[M-H]- 397.06752 190.3
[M+NH4]+ 416.10862 192.3
[M+K]+ 437.03796 190.4
[M+H-H2O]+ 381.07206 176.6
[M+HCOO]- 443.07300 193.8
[M+CH3COO]- 457.08865 219.0
[M+Na-2H]- 419.04947 184.7
[M]+ 398.07425 188.1
[M]- 398.07535 188.1
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

No patent data available for this compound.