CID 135524708

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

Structural Information

Molecular Formula
C19H13N5O5S
SMILES
C1=CC=C2C(=C1)NC(=NS2(=O)=O)C3=C(C4=C(N=CC=C4)N(C3=O)NC5=COC=C5)O
InChI
InChI=1S/C19H13N5O5S/c25-16-12-4-3-8-20-18(12)24(22-11-7-9-29-10-11)19(26)15(16)17-21-13-5-1-2-6-14(13)30(27,28)23-17/h1-10,22,25H,(H,21,23)
InChIKey
MFDKBFRJBWIMMD-UHFFFAOYSA-N
Compound name
3-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-1-(furan-3-ylamino)-4-hydroxy-1,8-naphthyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

423.06375 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.07103 193.1
[M+Na]+ 446.05297 206.3
[M-H]- 422.05647 199.8
[M+NH4]+ 441.09757 201.0
[M+K]+ 462.02691 199.8
[M+H-H2O]+ 406.06101 183.7
[M+HCOO]- 468.06195 205.8
[M+CH3COO]- 482.07760 202.7
[M+Na-2H]- 444.03842 199.7
[M]+ 423.06320 198.3
[M]- 423.06430 198.3
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

No patent data available for this compound.