CID 2886427

N-(4-iodophenyl)-2-(3-oxo-3,4-dihydro-2h-1,4-benzothiazin-2-yl)acetamide

Structural Information

Molecular Formula
C16H13IN2O2S
SMILES
C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)NC3=CC=C(C=C3)I
InChI
InChI=1S/C16H13IN2O2S/c17-10-5-7-11(8-6-10)18-15(20)9-14-16(21)19-12-3-1-2-4-13(12)22-14/h1-8,14H,9H2,(H,18,20)(H,19,21)
InChIKey
ICZVSUMEKOYLMV-UHFFFAOYSA-N
Compound name
N-(4-iodophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.97424 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.98152 183.1
[M+Na]+ 446.96346 187.8
[M+NH4]+ 442.00806 186.6
[M+K]+ 462.93740 181.8
[M-H]- 422.96696 180.8
[M+Na-2H]- 444.94891 176.6
[M]+ 423.97369 182.4
[M]- 423.97479 182.4
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.