CID 135524718

1,8-naphthyridin-2(1h)-one, 3-(1,1-dioxido-4h-1,2,4-benzothiadiazin-3-yl)-1-[(1-ethylpropyl)amino]-4-hydroxy-

Structural Information

Molecular Formula
C20H21N5O4S
SMILES
CCC(CC)NN1C2=C(C=CC=N2)C(=C(C1=O)C3=NS(=O)(=O)C4=CC=CC=C4N3)O
InChI
InChI=1S/C20H21N5O4S/c1-3-12(4-2)23-25-19-13(8-7-11-21-19)17(26)16(20(25)27)18-22-14-9-5-6-10-15(14)30(28,29)24-18/h5-12,23,26H,3-4H2,1-2H3,(H,22,24)
InChIKey
UBPMWFIVJVNISX-UHFFFAOYSA-N
Compound name
3-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(pentan-3-ylamino)-1,8-naphthyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

427.13144 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.13872 197.7
[M+Na]+ 450.12066 207.5
[M-H]- 426.12416 198.7
[M+NH4]+ 445.16526 205.0
[M+K]+ 466.09460 199.9
[M+H-H2O]+ 410.12870 188.0
[M+HCOO]- 472.12964 205.8
[M+CH3COO]- 486.14529 204.9
[M+Na-2H]- 448.10611 202.7
[M]+ 427.13089 200.7
[M]- 427.13199 200.7
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.