CID 16728074

Chembl246535

Structural Information

Molecular Formula
C20H20N4O4S
SMILES
C1CCS(=O)(=O)N(C1)C2=NC(=C(C3=C2C=CC=N3)O)C(=O)NCC4=CC=CC=C4
InChI
InChI=1S/C20H20N4O4S/c25-18-16-15(9-6-10-21-16)19(24-11-4-5-12-29(24,27)28)23-17(18)20(26)22-13-14-7-2-1-3-8-14/h1-3,6-10,25H,4-5,11-13H2,(H,22,26)
InChIKey
FWWMQCWKOSWTOL-UHFFFAOYSA-N
Compound name
N-benzyl-5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

412.1205 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.12778 193.2
[M+Na]+ 435.10972 200.1
[M-H]- 411.11322 197.9
[M+NH4]+ 430.15432 201.2
[M+K]+ 451.08366 193.7
[M+H-H2O]+ 395.11776 182.6
[M+HCOO]- 457.11870 203.2
[M+CH3COO]- 471.13435 200.6
[M+Na-2H]- 433.09517 197.1
[M]+ 412.11995 192.4
[M]- 412.12105 192.4
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