CID 135411081

3-(1,1-dioxo-5,6-dihydro-2h-1,2,4-thiadiazin-3-yl)-4-hydroxy-1-isopentyl-quinolin-2-one

Structural Information

Molecular Formula
C17H21N3O4S
SMILES
CC(C)CCN1C2=CC=CC=C2C(=C(C1=O)C3=NCCS(=O)(=O)N3)O
InChI
InChI=1S/C17H21N3O4S/c1-11(2)7-9-20-13-6-4-3-5-12(13)15(21)14(17(20)22)16-18-8-10-25(23,24)19-16/h3-6,11,21H,7-10H2,1-2H3,(H,18,19)
InChIKey
FHZPMDRYUPORJY-UHFFFAOYSA-N
Compound name
3-(1,1-dioxo-5,6-dihydro-2H-1,2,4-thiadiazin-3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.12527 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.13255 181.7
[M+Na]+ 386.11449 190.8
[M-H]- 362.11799 182.9
[M+NH4]+ 381.15909 192.5
[M+K]+ 402.08843 184.6
[M+H-H2O]+ 346.12253 173.5
[M+HCOO]- 408.12347 190.2
[M+CH3COO]- 422.13912 209.3
[M+Na-2H]- 384.09994 183.4
[M]+ 363.12472 183.4
[M]- 363.12582 183.4
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

No patent data available for this compound.