CID 54708905

2h-pyrido(3,2-e)(1,2)thiazine-3-carboxamide, n-cyclohexyl-4-hydroxy-2,5,7-trimethyl-, 1,1-dioxide

Structural Information

Molecular Formula
C17H23N3O4S
SMILES
CC1=CC(=NC2=C1C(=C(N(S2(=O)=O)C)C(=O)NC3CCCCC3)O)C
InChI
InChI=1S/C17H23N3O4S/c1-10-9-11(2)18-17-13(10)15(21)14(20(3)25(17,23)24)16(22)19-12-7-5-4-6-8-12/h9,12,21H,4-8H2,1-3H3,(H,19,22)
InChIKey
WPLRMLGMNCLZED-UHFFFAOYSA-N
Compound name
N-cyclohexyl-4-hydroxy-2,5,7-trimethyl-1,1-dioxopyrido[3,2-e]thiazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.14093 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.14821 181.7
[M+Na]+ 388.13015 189.2
[M-H]- 364.13365 184.9
[M+NH4]+ 383.17475 194.2
[M+K]+ 404.10409 184.5
[M+H-H2O]+ 348.13819 174.0
[M+HCOO]- 410.13913 191.0
[M+CH3COO]- 424.15478 215.4
[M+Na-2H]- 386.11560 182.3
[M]+ 365.14038 181.7
[M]- 365.14148 181.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.