CID 3065087

Brn 4821318

Structural Information

Molecular Formula
C17H16N2O3S
SMILES
COC1=CC=C(C=C1)N2C3=CC=CC=C3SC(C2=O)CC(=O)N
InChI
InChI=1S/C17H16N2O3S/c1-22-12-8-6-11(7-9-12)19-13-4-2-3-5-14(13)23-15(17(19)21)10-16(18)20/h2-9,15H,10H2,1H3,(H2,18,20)
InChIKey
CJUBTDMBLCTOSE-UHFFFAOYSA-N
Compound name
2-[4-(4-methoxyphenyl)-3-oxo-1,4-benzothiazin-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.08817 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.095446 173.5
[M+Na]+ 351.077388 180.9
[M-H]- 327.080894 179.0
[M+NH4]+ 346.121993 187.0
[M+K]+ 367.051328 175.8
[M+H-H2O]+ 311.085430 165.1
[M+HCOO]- 373.086371 187.7
[M+CH3COO]- 387.102021 210.3
[M+Na-2H]- 349.062836 174.8
[M]+ 328.08762142 174.6
[M]- 328.08871858 174.6
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.