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 176.6
[M+Na]+ 446.96346 176.0
[M-H]- 422.96696 173.5
[M+NH4]+ 442.00806 185.2
[M+K]+ 462.93740 175.8
[M+H-H2O]+ 406.97150 164.9
[M+HCOO]- 468.97244 185.2
[M+CH3COO]- 482.98809 181.8
[M+Na-2H]- 444.94891 167.7
[M]+ 423.97369 171.9
[M]- 423.97479 171.9
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.