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

literature stripe

Patent stripe

patents stripe