CID 471671

2-(3-acetyl-4-hydroxy-5,7-dimethyl-1,1-dioxo-pyrido[3,2-e]thiazin-2-yl)-n-butyl-acetamide

Structural Information

Molecular Formula
C17H23N3O5S
SMILES
CCCCNC(=O)CN1C(=C(C2=C(S1(=O)=O)N=C(C=C2C)C)O)C(=O)C
InChI
InChI=1S/C17H23N3O5S/c1-5-6-7-18-13(22)9-20-15(12(4)21)16(23)14-10(2)8-11(3)19-17(14)26(20,24)25/h8,23H,5-7,9H2,1-4H3,(H,18,22)
InChIKey
SCYWVUAYKMGSQT-UHFFFAOYSA-N
Compound name
2-(3-acetyl-4-hydroxy-5,7-dimethyl-1,1-dioxopyrido[3,2-e]thiazin-2-yl)-N-butylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.13583 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.14311 183.4
[M+Na]+ 404.12505 192.0
[M-H]- 380.12855 184.1
[M+NH4]+ 399.16965 195.6
[M+K]+ 420.09899 187.9
[M+H-H2O]+ 364.13309 176.8
[M+HCOO]- 426.13403 194.7
[M+CH3COO]- 440.14968 220.5
[M+Na-2H]- 402.11050 183.6
[M]+ 381.13528 190.1
[M]- 381.13638 190.1
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.