CID 135524696

1,8-naphthyridin-2(1h)-one, 3-(1,1-dioxido-4h-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(phenylamino)-

Structural Information

Molecular Formula
C21H15N5O4S
SMILES
C1=CC=C(C=C1)NN2C3=C(C=CC=N3)C(=C(C2=O)C4=NS(=O)(=O)C5=CC=CC=C5N4)O
InChI
InChI=1S/C21H15N5O4S/c27-18-14-9-6-12-22-20(14)26(24-13-7-2-1-3-8-13)21(28)17(18)19-23-15-10-4-5-11-16(15)31(29,30)25-19/h1-12,24,27H,(H,23,25)
InChIKey
PAOHTOVPZYDVAR-UHFFFAOYSA-N
Compound name
1-anilino-3-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,8-naphthyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

433.08447 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.09175 198.4
[M+Na]+ 456.07369 209.6
[M-H]- 432.07719 202.8
[M+NH4]+ 451.11829 204.8
[M+K]+ 472.04763 200.7
[M+H-H2O]+ 416.08173 187.1
[M+HCOO]- 478.08267 208.5
[M+CH3COO]- 492.09832 206.0
[M+Na-2H]- 454.05914 206.2
[M]+ 433.08392 199.6
[M]- 433.08502 199.6
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

No patent data available for this compound.