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]+ 329.09545 173.5
[M+Na]+ 351.07739 180.9
[M-H]- 327.08089 179.0
[M+NH4]+ 346.12199 187.0
[M+K]+ 367.05133 175.8
[M+H-H2O]+ 311.08543 165.1
[M+HCOO]- 373.08637 187.7
[M+CH3COO]- 387.10202 210.3
[M+Na-2H]- 349.06284 174.8
[M]+ 328.08762 174.6
[M]- 328.08872 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.