CID 382798

Nsc670523

Structural Information

Molecular Formula
C11H12N2O3S
SMILES
CC(=O)NC1=C2C(=CC(=C1)OC)SCC(=O)N2
InChI
InChI=1S/C11H12N2O3S/c1-6(14)12-8-3-7(16-2)4-9-11(8)13-10(15)5-17-9/h3-4H,5H2,1-2H3,(H,12,14)(H,13,15)
InChIKey
QCSXGTXYZZWMBY-UHFFFAOYSA-N
Compound name
N-(7-methoxy-3-oxo-4H-1,4-benzothiazin-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.05687 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.064146 151.9
[M+Na]+ 275.046088 159.3
[M-H]- 251.049594 153.6
[M+NH4]+ 270.090693 168.4
[M+K]+ 291.020028 155.5
[M+H-H2O]+ 235.054130 145.5
[M+HCOO]- 297.055071 165.7
[M+CH3COO]- 311.070721 192.6
[M+Na-2H]- 273.031536 154.7
[M]+ 252.05632142 152.1
[M]- 252.05741858 152.1
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.