CID 135524712

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

Structural Information

Molecular Formula
C20H21N5O4S
SMILES
CCCCCNN1C2=C(C=CC=N2)C(=C(C1=O)C3=NS(=O)(=O)C4=CC=CC=C4N3)O
InChI
InChI=1S/C20H21N5O4S/c1-2-3-6-12-22-25-19-13(8-7-11-21-19)17(26)16(20(25)27)18-23-14-9-4-5-10-15(14)30(28,29)24-18/h4-5,7-11,22,26H,2-3,6,12H2,1H3,(H,23,24)
InChIKey
FWZQQVMHTVJHHP-UHFFFAOYSA-N
Compound name
3-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(pentylamino)-1,8-naphthyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

427.13144 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.13872 198.0
[M+Na]+ 450.12066 208.2
[M-H]- 426.12416 198.9
[M+NH4]+ 445.16526 205.4
[M+K]+ 466.09460 199.9
[M+H-H2O]+ 410.12870 187.9
[M+HCOO]- 472.12964 207.1
[M+CH3COO]- 486.14529 205.3
[M+Na-2H]- 448.10611 203.8
[M]+ 427.13089 201.5
[M]- 427.13199 201.5
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.