CID 3013401

Schembl4763113

Structural Information

Molecular Formula
C23H24FN5O5S
SMILES
CCNC(=O)C1=C(C=CC(=C1)F)CNC(=O)C2=C(C3=C(C=CC=N3)C(=N2)N4CCCCS4(=O)=O)O
InChI
InChI=1S/C23H24FN5O5S/c1-2-25-22(31)17-12-15(24)8-7-14(17)13-27-23(32)19-20(30)18-16(6-5-9-26-18)21(28-19)29-10-3-4-11-35(29,33)34/h5-9,12,30H,2-4,10-11,13H2,1H3,(H,25,31)(H,27,32)
InChIKey
JYJRWCBSFUYAFA-UHFFFAOYSA-N
Compound name
5-(1,1-dioxothiazinan-2-yl)-N-[[2-(ethylcarbamoyl)-4-fluorophenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

501.14822 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.15550 212.6
[M+Na]+ 524.13744 218.2
[M-H]- 500.14094 215.8
[M+NH4]+ 519.18204 216.7
[M+K]+ 540.11138 212.2
[M+H-H2O]+ 484.14548 201.1
[M+HCOO]- 546.14642 220.6
[M+CH3COO]- 560.16207 241.6
[M+Na-2H]- 522.12289 214.0
[M]+ 501.14767 212.2
[M]- 501.14877 212.2
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.