CID 366862

Nsc635841

Structural Information

Molecular Formula
C20H22N2O2S
SMILES
CC1=C(C(=CC=C1)C(C)C)NC(=O)CC2C(=O)NC3=CC=CC=C3S2
InChI
InChI=1S/C20H22N2O2S/c1-12(2)14-8-6-7-13(3)19(14)22-18(23)11-17-20(24)21-15-9-4-5-10-16(15)25-17/h4-10,12,17H,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKey
AMOAUJZVXKOCOI-UHFFFAOYSA-N
Compound name
N-(2-methyl-6-propan-2-ylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.1402 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14748 182.5
[M+Na]+ 377.12942 188.0
[M-H]- 353.13292 186.7
[M+NH4]+ 372.17402 194.6
[M+K]+ 393.10336 181.8
[M+H-H2O]+ 337.13746 174.3
[M+HCOO]- 399.13840 193.6
[M+CH3COO]- 413.15405 215.5
[M+Na-2H]- 375.11487 181.8
[M]+ 354.13965 181.7
[M]- 354.14075 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.