CID 457930

410544-95-5

Structural Information

Molecular Formula
C20H19FN4O4S
SMILES
C1CCS(=O)(=O)N(C1)C2=NC(=C(C3=C2C=CC=N3)O)C(=O)NCC4=CC=C(C=C4)F
InChI
InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9,26H,1-2,10-12H2,(H,23,27)
InChIKey
DIDKWCOCQJWMDJ-UHFFFAOYSA-N
Compound name
5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

29
References

162
Patents

430.1111 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.11838 196.6
[M+Na]+ 453.10032 204.3
[M-H]- 429.10382 200.2
[M+NH4]+ 448.14492 204.1
[M+K]+ 469.07426 197.5
[M+H-H2O]+ 413.10836 185.2
[M+HCOO]- 475.10930 205.4
[M+CH3COO]- 489.12495 203.7
[M+Na-2H]- 451.08577 199.3
[M]+ 430.11055 195.3
[M]- 430.11165 195.3
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.