CID 135446986

1-(2-cyclopropylethyl)-3-[1,1-dioxo-7-(5-oxo-4,5-dihydro-isoxazol-3-yl)-1,4-dihydrobenzo[1,2,4]-thiadiazin-3-yl]-6-fluoro-4-hydroxy-1h-quinolin-2-one

Structural Information

Molecular Formula
C24H19FN4O6S
SMILES
C1CC1CCN2C3=C(C=C(C=C3)F)C(=C(C2=O)C4=NS(=O)(=O)C5=C(N4)C=CC(=C5)C6=NOC(=O)C6)O
InChI
InChI=1S/C24H19FN4O6S/c25-14-4-6-18-15(10-14)22(31)21(24(32)29(18)8-7-12-1-2-12)23-26-16-5-3-13(17-11-20(30)35-27-17)9-19(16)36(33,34)28-23/h3-6,9-10,12,31H,1-2,7-8,11H2,(H,26,28)
InChIKey
BZTPEGUUDQLVSF-UHFFFAOYSA-N
Compound name
3-[3-[1-(2-cyclopropylethyl)-6-fluoro-4-hydroxy-2-oxoquinolin-3-yl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-7-yl]-4H-1,2-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.10092 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.10820 221.6
[M+Na]+ 533.09014 234.4
[M-H]- 509.09364 228.6
[M+NH4]+ 528.13474 221.7
[M+K]+ 549.06408 226.5
[M+H-H2O]+ 493.09818 212.2
[M+HCOO]- 555.09912 227.7
[M+CH3COO]- 569.11477 227.9
[M+Na-2H]- 531.07559 219.9
[M]+ 510.10037 227.9
[M]- 510.10147 227.9
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.